tert-butyl [(5-chloro-2-fluoro-4-{2-[3-nitro-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazol-4-yl]-4-(trifluoromethyl)phenoxy}phenyl)sulfonyl]1,3-thiazol-4-ylcarbamate

HCID 66905740

기본 정보

표준 SMILES
CC(C)(C)OC(=O)N(c1cscn1)S(=O)(=O)c1cc(Cl)c(Oc2ccc(C(F)(F)F)cc2-c2cn(C3CCCCO3)nc2[N+](=O)[O-])cc1F
InChIKey
BJLLSUILMLBUOB-UHFFFAOYSA-N
분자식
C29H26ClF4N5O8S2
평균 분자량
748.1 g/mol

이름 및 식별자

우선 이름
tert-butyl [(5-chloro-2-fluoro-4-{2-[3-nitro-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazol-4-yl]-4-(trifluoromethyl)phenoxy}phenyl)sulfonyl]1,3-thiazol-4-ylcarbamate
IUPAC
tert-butyl N-[5-chloro-2-fluoro-4-[2-[3-nitro-1-(oxan-2-yl)pyrazol-4-yl]-4-(trifluoromethyl)phenoxy]phenyl]sulfonyl-N-(1,3-thiazol-4-yl)carbamate

이름 및 동의어

tert-butyl [(5-chloro-2-fluoro-4-{2-[3-nitro-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazol-4-yl]-4-(trifluoromethyl)phenoxy}phenyl)sulfonyl]1,3-thiazol-4-ylcarbamateSCHEMBL1094830tert-butyl[(5-chloro-2-fluoro-4-{2-[3-nitro-1-(tetrahydro-2h-pyran-2-yl)-1h-pyrazol-4-yl]-4-(trifluoromethyl)phenoxy}phenyl)sulfonyl]1,3-thiazol-4-ylcarbamate

데이터베이스 식별자

PubChem CID
66905740

물성

구조 계산 물성

XLogP
7.2
극성 표면적
195 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
15
회전 가능 결합 수
9
무거운 원자 수
49

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