5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)furan-2-carboxamide
기본 정보
- CAS
494747-64-7- 표준 SMILES
Cc1nn(Cc2ccc(C(=O)Nc3sc4c(c3C#N)CCCCCCCCCC4)o2)c(C)c1Cl- InChIKey
HZVQFJJUWGWUDM-UHFFFAOYSA-N- 분자식
- C26H31ClN4O2S
- 평균 분자량
- 499.1 g/mol
이름 및 식별자
- 우선 이름
- 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)furan-2-carboxamide
- IUPAC
- 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)furan-2-carboxamide
- 영어명
- 5-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thien-2-yl)-2-furamide
- 분자식
- C26H31ClN4O2S
- 분자량
- 499.06794
이름 및 동의어
5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)furan-2-carboxamide5-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)furan-2-carboxamideOprea1_130793AK-968/41170923STK301919AKOS004001013494747-64-75-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thien-2-yl)-2-furamide5-[(4-CHLORO-3,5-DIMETHYL-1H-PYRAZOL-1-YL)METHYL]-N-(3-CYANO-4,5,6,7,8,9,10,11,12,13-DECAHYDROCYCLODODECA[B]THIOPHEN-2-YL)-2-FURAMIDE
데이터베이스 식별자
- CAS
494747-64-7
물성
구조 계산 물성
- XLogP
- 8.3
- 극성 표면적
- 112 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 34
- 형식 전하
- 0
- 복잡도
- 733
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