기본 정보
- 표준 SMILES
CC(C)(O)CCOc1cc(-c2cnn(C(C)(C)C(N)=O)c2)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2.O- InChIKey
WTPZYIZNHQOCOQ-VQIWEWKSSA-N- 분자식
- C26H30F3N3O5
- 평균 분자량
- 521.5 g/mol
이름 및 식별자
- 우선 이름
- 2-{4-[(9R)-9-Hydroxy-2-(3-hydroxy-3-methylbutyloxy)-9-(trifluoromethyl)-9H-fluoren-4-yl]-1H-pyrazol-1-yl}-2-methylpropanamide monohydrate
- IUPAC
- 2-[4-[(9R)-9-hydroxy-2-(3-hydroxy-3-methylbutoxy)-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-2-methylpropanamide;hydrate
이름 및 동의어
2-{4-[(9R)-9-Hydroxy-2-(3-hydroxy-3-methylbutyloxy)-9-(trifluoromethyl)-9H-fluoren-4-yl]-1H-pyrazol-1-yl}-2-methylpropanamide monohydrate2-(4-((9R)-9-HYDROXY-2-(3-HYDROXY-3-METHYLBUTYLOXY)-9-(TRIFLUOROMETHYL)-9H-FLUOREN-4-YL)-1H-PYRAZOL-1-YL)-2-METHYLPROPANAMIDE MONOHYDRATE0AQV15PQ6MJTT-251 MONOHYDRATESCHEMBL16107333SCHEMBL29611911
데이터베이스 식별자
- PubChem CID
- 78324948
- UNII
- 0AQV15PQ6M
물성
구조 계산 물성
- 극성 표면적
- 112 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 37
- 형식 전하
- 0
- 복잡도
- 823
관련 반응
2건
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