5-(3,3-Dimethyl-but-1-ynyl)-3-{(4-methyl-cyclohexanecarbonyl)-[4-(N'-methyl-N'-pyridin-2-yl-hydrazino)-cyclohexyl]-amino}-thiophene-2-carboxylic acid (HCID 53328930)

기본 정보

표준 SMILES: CC1CCC(C(=O)N(c2cc(C#CC(C)(C)C)sc2C(=O)O)C2CCC(NN(C)c3ccccn3)CC2)CC1
InChIKey: DVYWQKGHPWBWRE-UHFFFAOYSA-N
분자식: C31H42N4O3S
평균 분자량: 550.8 g/mol

이름 및 식별자

우선 이름: 5-(3,3-Dimethyl-but-1-ynyl)-3-{(4-methyl-cyclohexanecarbonyl)-[4-(N'-methyl-N'-pyridin-2-yl-hydrazino)-cyclohexyl]-amino}-thiophene-2-carboxylic acid
IUPAC: 5-(3,3-dimethylbut-1-ynyl)-3-[(4-methylcyclohexanecarbonyl)-[4-(2-methyl-2-pyridin-2-ylhydrazinyl)cyclohexyl]amino]thiophene-2-carboxylic acid

이름 및 동의어

SCHEMBL2221238SCHEMBL12439528SCHEMBL12439529DVYWQKGHPWBWRE-UHFFFAOYSA-N5-(3,3-Dimethyl-but-1-ynyl)-3-{(4-methyl-cyclohexanecarbonyl)-[4-(N'-methyl-N'-pyridin-2-yl-hydrazino)-cyclohexyl]-amino}-thiophene-2-carboxylic acid

데이터베이스 식별자

PubChem CID: 53328930

물성

구조 계산 물성

XLogP: 5.2
극성 표면적: 114 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 7
회전 가능 결합 수: 9
무거운 원자 수: 39
형식 전하: 0
복잡도: 908

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