기본 정보
- 표준 SMILES
COc1cc(F)c(C(C)C)cc1-c1ccc(C2CC2)cc1CN1C(=O)O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1C- InChIKey
GFQNLYSOTQBZGR-ADKRDUOOSA-N- 분자식
- C32H30F7NO3
- 평균 분자량
- 609.6 g/mol
- 단동위원소 질량
- 609.21139095
이름 및 식별자
- 우선 이름
- (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[(4-cyclopropyl-4'-fluoro-5'-isopropyl-2'-methoxybiphenyl-2-yl)methyl]-4-methyl-1,3-oxazolidin-2-one
- IUPAC
- (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[5-cyclopropyl-2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one
이름 및 동의어
CHEMBL1935013(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[(4-cyclopropyl-4'-fluoro-5'-isopropyl-2'-methoxybiphenyl-2-yl)methyl]-4-methyl-1,3-oxazolidin-2-oneSCHEMBL532344BDBM50360883(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[(4-cyclopropyl-4'-fluoro-5'-isopropyl-2' methoxybiphenyl-2-yl)methyl]-4-methyl-1,3-oxazolidin-2-one
데이터베이스 식별자
- PubChem CID
- 11628674
- ChEMBL
CHEMBL1935013
물성
구조 계산 물성
- XLogP
- 8.9
- 극성 표면적
- 38.8 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 43
- 형식 전하
- 0
- 복잡도
- 948
관련 반응
2건
화합물 노트
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