5-(3,3-Dimethyl-but-1-ynyl)-3-[(4-hydroxy-cyclohexyl)-(4-methyl-cyclohexanecarbonyl)-amino]-thiophene-2-carboxylic acid methyl ester
기본 정보
- 표준 SMILES
COC(=O)c1sc(C#CC(C)(C)C)cc1N(C(=O)C1CCC(C)CC1)C1CCC(O)CC1- InChIKey
GNIBKVJTLKANCS-UHFFFAOYSA-N- 분자식
- C26H37NO4S
- 평균 분자량
- 459.6 g/mol
- 단동위원소 질량
- 459.24432984
이름 및 식별자
- 우선 이름
- 5-(3,3-Dimethyl-but-1-ynyl)-3-[(4-hydroxy-cyclohexyl)-(4-methyl-cyclohexanecarbonyl)-amino]-thiophene-2-carboxylic acid methyl ester
- IUPAC
- methyl 5-(3,3-dimethylbut-1-ynyl)-3-[(4-hydroxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]thiophene-2-carboxylate
이름 및 동의어
SCHEMBL101680SCHEMBL132636SCHEMBL135727SCHEMBL135973SCHEMBL15960459SCHEMBL17861247GNIBKVJTLKANCS-HKJRMUSSSA-NGNIBKVJTLKANCS-RTWGARKQSA-NGNIBKVJTLKANCS-UBBSCCEASA-NGNIBKVJTLKANCS-UHFFFAOYSA-N5-(3,3-Dimethyl-but-1-ynyl)-3-[(4-hydroxy-cyclohexyl)-(4-methyl-cyclohexanecarbonyl)-amino]-thiophene-2-carboxylic acid methyl ester5-(3,3-dimethyl-but-1-ynyl)-3-[(4-hydroxy-cyclohexyl)-(trans-4-methyl-cyc-lohexanecarbonyl)-amino]-thiophene-2-carboxylic acid methyl ester
이름 더 보기
5-(3,3-dimethyl-but-1-ynyl)-3-[(4-hydroxy-cyclohexyl)-(trans-4-methyl-cyclohexanecarbonyl)-amino]-thiophene-2-carboxylic acid methyl ester5-(3,3-dimethyl-but-1-ynyl)-3-[(cis-4-hydroxy-cyclohexyl)-(trans-4-methyl-cyclohexanecarbonyl)-amino]-thiophene-2-carboxylic acid methyl ester5-(3,3-Dimethyl-but-1-ynyl)-3-[(trans-4-hydroxy-cyclohexyl)-(trans-4-methyl-cyclohexane-carbonyl)-amino]-thiophene-2-carboxylic acid methyl ester5-(3,3-dimethyl-but-1-ynyl)-3-[(trans-4-hydroxy-cyclohexyl)-(trans-4-methyl-cyclohexanecarbonyl)-amino]-thiophene-2-carboxylic acid methyl ester
데이터베이스 식별자
- PubChem CID
- 58113991
물성
구조 계산 물성
- XLogP
- 6.2
- 극성 표면적
- 95.1 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 32
- 형식 전하
- 0
- 복잡도
- 732
관련 반응
10건
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