기본 정보
- 표준 SMILES
COc1cc(F)c(C(C)C)cc1-c1ccc(C(F)(F)F)cc1CN1C(=O)OC(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1C- InChIKey
MZZLGJHLQGUVPN-UHFFFAOYSA-N- 분자식
- C30H25F10NO3
- 평균 분자량
- 637.5 g/mol
- 단동위원소 질량
- 637.16747528
이름 및 식별자
- 우선 이름
- 2-Oxazolidinone, 5-[3,5-bis(trifluoromethyl)phenyl]-3-[[4'-fluoro-2'-methoxy-5'-(1-methylethyl)-4-(trifluoromethyl)[1,1'-biphenyl]-2-yl]methyl]-4-methyl-, (4S,5R)-
- IUPAC
- 5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one
이름 및 동의어
Anacetrapib (MK-0859)s2748MK 08592-Oxazolidinone, 5-[3,5-bis(trifluoromethyl)phenyl]-3-[[4'-fluoro-2'-methoxy-5'-(1-methylethyl)-4-(trifluoromethyl)[1,1'-biphenyl]-2-yl]methyl]-4-methyl-, (4S,5R)-SCHEMBL9992680HMS3656J21HMS3747C132-Oxazolidinone, 5-[3,5-bis(trifluoromethyl)phenyl]-3-[[4'-fluoro-2'-methoxy-5'-(1-methylethyl)-4-(trifluoromethyl)[1,1'-biphenyl]-2-yl]methyl]-4-methyl-, (4S,5S)-875549-48-7AKOS026750270PB16631NCGC00389700-02
이름 더 보기
5-(3,5-bis(trifluoromethyl)phenyl)-3-((4'-fluoro-5'-isopropyl-2'-methoxy-4-(trifluoromethyl)biphenyl-2-yl)methyl)-4-methyl-1,3-oxazolidin-2-one
데이터베이스 식별자
- PubChem CID
- 49849451
물성
구조 계산 물성
- XLogP
- 8.8
- 극성 표면적
- 38.8 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 13
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 44
- 형식 전하
- 0
- 복잡도
- 964
관련 반응
5건
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