tert-butyl 4-[2'-({(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl}methyl)-4-fluoro-6-methoxy-4'-(trifluoromethyl)biphenyl-3-yl]piperidine-1-carboxylate

HCID 25009327
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기본 정보

표준 SMILES
COc1cc(F)c(C2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc(C(F)(F)F)cc1CN1C(=O)O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1C
InChIKey
AMBNBWROTSDWTO-RQZFFVEVSA-N
분자식
C37H36F10N2O5
평균 분자량
778.7 g/mol
단동위원소 질량
778.24645387

이름 및 식별자

우선 이름
tert-butyl 4-[2'-({(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl}methyl)-4-fluoro-6-methoxy-4'-(trifluoromethyl)biphenyl-3-yl]piperidine-1-carboxylate
IUPAC
tert-butyl 4-[5-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4-(trifluoromethyl)phenyl]-2-fluoro-4-methoxyphenyl]piperidine-1-carboxylate

이름 및 동의어

tert-butyl 4-[2'-({(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl}methyl)-4-fluoro-6-methoxy-4'-(trifluoromethyl)biphenyl-3-yl]piperidine-1-carboxylateSCHEMBL1529152

데이터베이스 식별자

PubChem CID
25009327

물성

구조 계산 물성

XLogP
9.1
극성 표면적
68.3 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
15
회전 가능 결합 수
8
무거운 원자 수
54

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