기본 정보
- CAS
1627957-25-8- 표준 SMILES
CC(C)(O)CCOc1cc(-c2cnn(C(C)(C)C(N)=O)c2)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2- InChIKey
KNPYQCPWTWANOG-RUZDIDTESA-N- 분자식
- C26H28F3N3O4
- 평균 분자량
- 503.5 g/mol
이름 및 식별자
- 우선 이름
- (R)-2-(4-(9-Hydroxy-2-(3-hydroxy-3-methylbutoxy)-9-(trifluoromethyl)-9H-fluoren-4-yl)-1H-pyrazol-1-yl)-2-methylpropanamide
- IUPAC
- 2-[4-[(9R)-9-hydroxy-2-(3-hydroxy-3-methylbutoxy)-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-2-methylpropanamide
이름 및 동의어
JTT-2511627957-25-8(R)-2-(4-(9-Hydroxy-2-(3-hydroxy-3-methylbutoxy)-9-(trifluoromethyl)-9H-fluoren-4-yl)-1H-pyrazol-1-yl)-2-methylpropanamideorb3173413VZ3FG834W3CHEMBL3673096SCHEMBL16107288SCHEMBL30100372BDBM160542US9040717, Compound (2)US9040717, Compound (2h)2-{4-[(9R)-9-Hydroxy-2-(3-hydroxy-3-methylbutyloxy)-9-(trifluoromethyl)-9H-fluoren-4-yl]-1H-pyrazol-1-yl}-2-methylpropanamide
데이터베이스 식별자
- CAS
1627957-25-8- PubChem CID
- 78210288
- ChEMBL
CHEMBL3673096- UNII
- VZ3FG834W3
물성
구조 계산 물성
- XLogP
- 3.2
- 극성 표면적
- 111 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 36
- 형식 전하
- 0
- 복잡도
- 823
관련 반응
3건
화합물 노트
불러오는 중…