N-[2-[4-[[3-butyl-5-oxo-1-[5-(propanoylamino)-2-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]methyl]-3-fluorophenyl]phenyl]sulfonyl-2-fluorobenzamide

HCID 10259447
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CCCCc1nn(-c2cc(NC(=O)CC)ccc2C(F)(F)F)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2F)cc1F
InChIKey
JSIOYLLLTSFGGX-UHFFFAOYSA-N
분자식
C36H32F5N5O5S
평균 분자량
741.7 g/mol

이름 및 식별자

우선 이름
N-[2-[4-[[3-butyl-5-oxo-1-[5-(propanoylamino)-2-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]methyl]-3-fluorophenyl]phenyl]sulfonyl-2-fluorobenzamide
IUPAC
N-[2-[4-[[3-butyl-5-oxo-1-[5-(propanoylamino)-2-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]methyl]-3-fluorophenyl]phenyl]sulfonyl-2-fluorobenzamide

이름 및 동의어

CHEMBL125280SCHEMBL9145045BDBM500307065-n-Butyl-2,4-dihydro-4-[[3-fluoro-2'-[N-(2-fluorobenzoyl)sulfamoyl]biphenyl-4-yl]methyl]-2-[5-(propionylamino)-2-(trifluoromethyl)phenyl]-3H-1,2,4,-triazol-3-oneN-(3-{3-Butyl-4-[3-fluoro-2''-(2-fluoro-benzoylsulfamoyl)-biphenyl-4-ylmethyl]-5-oxo-4,5-dihydro-[1,2,4]triazol-1-yl}-4-trifluoromethyl-phenyl)-propionamideN-[2-[4-[[3-butyl-5-oxo-1-[5-(propanoylamino)-2-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]methyl]-3-fluorophenyl]phenyl]sulfonyl-2-fluorobenzamide

데이터베이스 식별자

PubChem CID
10259447
ChEMBL
CHEMBL125280

물성

구조 계산 물성

XLogP
6.7
극성 표면적
137 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
11
회전 가능 결합 수
12
무거운 원자 수
52

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