1-((2R,3R)-1-(benzyloxy)-4,4,4-trifluoro-3-hydroxybutan-2-yl)-3-((R)-1-(3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl)-1-(4-fluorophenyl)-2-phenylethyl)urea

HCID 59458549

기본 정보

표준 SMILES
O=C(N[C@H](COCc1ccccc1)[C@@H](O)C(F)(F)F)N[C@](Cc1ccccc1)(c1ccc(F)cc1)c1cc(F)cc(OC(F)(F)C(F)F)c1
InChIKey
RRXXTPPUHBAOKQ-MZMMNKLXSA-N
분자식
C34H29F9N2O4
평균 분자량
700.6 g/mol
단동위원소 질량
700.19836087

이름 및 식별자

우선 이름
1-((2R,3R)-1-(benzyloxy)-4,4,4-trifluoro-3-hydroxybutan-2-yl)-3-((R)-1-(3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl)-1-(4-fluorophenyl)-2-phenylethyl)urea
IUPAC
1-[(1R)-1-(4-fluorophenyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-3-[(2R,3R)-4,4,4-trifluoro-3-hydroxy-1-phenylmethoxybutan-2-yl]urea

이름 및 동의어

1-((2R,3R)-1-(benzyloxy)-4,4,4-trifluoro-3-hydroxybutan-2-yl)-3-((R)-1-(3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl)-1-(4-fluorophenyl)-2-phenylethyl)ureaSCHEMBL758452

데이터베이스 식별자

PubChem CID
59458549

물성

구조 계산 물성

XLogP
8
극성 표면적
79.8 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
13
회전 가능 결합 수
14
무거운 원자 수
49

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6건

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