기본 정보
- 표준 SMILES
COC(=O)c1sc(Br)cc1N(C(=O)C1CCC(C)CC1)C1CCC(O)CC1- InChIKey
MXZRZTHTXZXYIZ-UHFFFAOYSA-N- 분자식
- C20H28BrNO4S
- 평균 분자량
- 458.4 g/mol
이름 및 식별자
- 우선 이름
- 5-Bromo-3-[(4-hydroxy-cyclohexyl)-(4-methyl-cyclohexanecarbonyl)-amino]-thiophene-2-carboxylic acid methyl ester
- IUPAC
- methyl 5-bromo-3-[(4-hydroxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]thiophene-2-carboxylate
이름 및 동의어
SCHEMBL102059SCHEMBL135529SCHEMBL15118799SCHEMBL15498374MXZRZTHTXZXYIZ-KTSLABGISA-NMXZRZTHTXZXYIZ-UHFFFAOYSA-N5-Bromo-3-[(4-hydroxy-cyclohexyl)-(4-methyl-cyclohexanecarbonyl)-amino]-thiophene-2-carboxylic acid methyl ester5-Bromo-3-[(trans-4-hydroxy-cyclohexyl)-(trans-4-methyl-cyclohexane-carbonyl)-amino]-thiophene-2-carboxylic acid methyl ester5-bromo-3-[(trans-4-hydroxy-cyclohexyl)-(trans-4-methyl-cyclohexanecarbonyl)-amino]-thiophene-2-carboxylic acid methyl ester5-bromo-3-[(trans-4-hydroxy-cyclohexyl)-(trans-4-methylcyclohexanecarbonyl)-amino]-thiophene-2-carboxylic acid methyl ester
데이터베이스 식별자
- PubChem CID
- 57795364
물성
구조 계산 물성
- XLogP
- 5.2
- 극성 표면적
- 95.1 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 27
- 형식 전하
- 0
- 복잡도
- 532
관련 반응
14건
화합물 노트
불러오는 중…