기본 정보
- CAS
122331-77-5- 표준 SMILES
Cc1ccc(-n2ccnc2)cc1[C@H](O)c1c(C)cc(C(=O)O)cc1C- InChIKey
QSAHHFJAWATNBG-IBGZPJMESA-N- 분자식
- C20H20N2O3
- 평균 분자량
- 336.4 g/mol
- 단동위원소 질량
- 336.1473925
이름 및 식별자
- 우선 이름
- Benzoic acid, 4-((S)-hydroxy(5-(1H-imidazol-1-yl)-2-methylphenyl)methyl)-3,5-dimethyl-
- IUPAC
- 4-[(S)-hydroxy-(5-imidazol-1-yl-2-methylphenyl)methyl]-3,5-dimethylbenzoic acid
이름 및 동의어
40MCT6540AY-20811 free acid, (S)-UNII-40MCT6540ABenzoic acid, 4-((S)-hydroxy(5-(1H-imidazol-1-yl)-2-methylphenyl)methyl)-3,5-dimethyl-122331-77-5Benzoic acid, 4-((S)-hydroxy(5-(1H-imidazol-1-yl)-2-methylphenyl)methyl)-3,5-dimethyl-, (-)-(S)-y-20811 free acidSCHEMBL5189591QSAHHFJAWATNBG-IBGZPJMESA-NQ27258342(S)-4-[alpha-hydroxy-5-(1-imidazolyl)-2-methylbenzyl]-3,5-dimethylbenzoic acid(S)-4-[hydroxy[5-(imidazol-1-yl)-2-methylphenyl]methyl]-3,5-dimethylbenzoic acid
이름 더 보기
(S)4-[alpha-hydroxy-5-(1-imidazolyl)-2-methylbenzyl]-3,5-dimethylbenzoic acid
데이터베이스 식별자
- CAS
122331-77-5- PubChem CID
- 11056808
- UNII
- 40MCT6540A
- Nikkaji
- J2.260.227F
물성
구조 계산 물성
- XLogP
- 3.1
- 극성 표면적
- 75.4 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 25
- 형식 전하
- 0
- 복잡도
- 460
관련 반응
7건
화합물 노트
불러오는 중…