1-methyl-5-trifluoromethyl-1H-pyrazole-4-carboxylic acid {(1S,3S,5S)-2-[5-(3-fluoro-phenyl)-2-methyl-thiazole-4-carbonyl]-2-aza-bicyclo[3.1.0]hex-3-ylmethyl}-amide

HCID 67081073
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기본 정보

표준 SMILES
Cc1nc(C(=O)N2[C@H](CNC(=O)c3cnn(C)c3C(F)(F)F)C[C@@H]3C[C@@H]32)c(-c2cccc(F)c2)s1
InChIKey
ZWPHKCYSAULFQP-KMFMINBZSA-N
분자식
C23H21F4N5O2S
평균 분자량
507.5 g/mol
단동위원소 질량
507.13520875

이름 및 식별자

우선 이름
1-methyl-5-trifluoromethyl-1H-pyrazole-4-carboxylic acid {(1S,3S,5S)-2-[5-(3-fluoro-phenyl)-2-methyl-thiazole-4-carbonyl]-2-aza-bicyclo[3.1.0]hex-3-ylmethyl}-amide
IUPAC
N-[[(1S,3S,5S)-2-[5-(3-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]methyl]-1-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide

이름 및 동의어

1-methyl-5-trifluoromethyl-1H-pyrazole-4-carboxylic acid {(1S,3S,5S)-2-[5-(3-fluoro-phenyl)-2-methyl-thiazole-4-carbonyl]-2-aza-bicyclo[3.1.0]hex-3-ylmethyl}-amideSCHEMBL1571602

데이터베이스 식별자

PubChem CID
67081073

물성

구조 계산 물성

XLogP
3.8
극성 표면적
108 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
9
회전 가능 결합 수
5
무거운 원자 수
35

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