Ethyl (1-{[(2-methylphenyl)carbonyl]carbamothioyl}-3-oxopiperazin-2-yl)acetate
概要:Ethyl (1-{[(2-methylphenyl)carbonyl]carbamothioyl}-3-oxopiperazin-2-yl)acetate(CAS 1043455-51-1)是一种化学化合物,分子式为C17H21N3O4S,分子量为363.13 g/mol。河南科弘生物科技有限公司提供CRO/CDMO定制合成服务,支持克级到吨级规格。
ethyl 2-[1-[(2-methylbenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate
又称:ethyl (1-{[(2-methylbenzoyl)amino]carbonothioyl}-3-oxo-2-piperazinyl)acetate, ethyl 2-[1-[(2-methylbenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate, Ethyl 2-[1-[(2-methylbenzoyl)thiocarbamoyl]-3-oxo-piperazin-2-yl]acetate, ethyl (1-{[(2-methylphenyl)carbonyl]carbamothioyl}-3-oxopiperazin-2-yl)acetate
| 分子式 | C17H21N3O4S |
|---|---|
| 分子量 | 363.13 g/mol |
| LogP | 0.76332 |
| 拓扑极性表面积 | 87.74 Ų |
| 氢键供体数 | 2 |
| 氢键受体数 | 5 |
| 可旋转键数 | 4 |
| 精确质量 | 363.12527 |
| 重原子数 | 25 |
| 复杂度 | 692.22546 |
化学标识符
| CAS 编号 | 1043455-51-1 |
|---|---|
| SMILES | CCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2=CC=CC=C2C |
产品概述
Ethyl (1-{[(2-methylphenyl)carbonyl]carbamothioyl}-3-oxopiperazin-2-yl)acetate(CAS 1043455-51-1),分子式为C17H21N3O4S,分子量为363.13 g/mol。IUPAC名:ethyl 2-[1-[(2-methylbenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate。
Ethyl (1-{[(2-methylphenyl)carbonyl]carbamothioyl}-3-oxopiperazin-2-yl)acetate化学性质概览
属性洞察:Ethyl (1-{[(2-methylphenyl)carbonyl]carbamothioyl}-3-oxopiperazin-2-yl)acetate
Ethyl (1-{[(2-methylphenyl)carbonyl]carbamothioyl}-3-oxopiperazin-2-yl)acetate的XLogP值为0.76332,表明具有中等亲脂性,在水溶性和膜透过性之间取得平衡。 TPSA为87.74 Ų,处于中等极性范围,在透过性和溶解性之间取得平衡。 根据Lipinski五规则,Ethyl (1-{[(2-methylphenyl)carbonyl]carbamothioyl}-3-oxopiperazin-2-yl)acetate有2个氢键供体和5个氢键受体,均在类药范围内,提示具有较好的口服生物利用度潜力。
常见问题
常见问题
Ethyl (1-{[(2-methylphenyl)carbonyl]carbamothioyl}-3-oxopiperazin-2-yl)acetate的CAS号是多少?
Ethyl (1-{[(2-methylphenyl)carbonyl]carbamothioyl}-3-oxopiperazin-2-yl)acetate的CAS号为1043455-51-1。
Ethyl (1-{[(2-methylphenyl)carbonyl]carbamothioyl}-3-oxopiperazin-2-yl)acetate的分子式是什么?
Ethyl (1-{[(2-methylphenyl)carbonyl]carbamothioyl}-3-oxopiperazin-2-yl)acetate的分子式为C17H21N3O4S。
Ethyl (1-{[(2-methylphenyl)carbonyl]carbamothioyl}-3-oxopiperazin-2-yl)acetate的分子量是多少?
Ethyl (1-{[(2-methylphenyl)carbonyl]carbamothioyl}-3-oxopiperazin-2-yl)acetate的分子量为363.13 g/mol。
在哪里可以购买Ethyl (1-{[(2-methylphenyl)carbonyl]carbamothioyl}-3-oxopiperazin-2-yl)acetate?
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