4''-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,5-dihydro-[1,2,4]triazol-4-ylmethyl]-5-propyl-biphenyl-2-sulfonic acid 2-chloro-benzoylamide

HCID 19939409
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(-c2cc(CCC)ccc2S(=O)(=O)NC(=O)c2ccccc2Cl)cc1
InChIKey
RGUYQWOEKYEDNB-UHFFFAOYSA-N
분자식
C36H34ClF3N4O4S
평균 분자량
711.2 g/mol

이름 및 식별자

우선 이름
4''-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,5-dihydro-[1,2,4]triazol-4-ylmethyl]-5-propyl-biphenyl-2-sulfonic acid 2-chloro-benzoylamide
IUPAC
N-[2-[4-[[3-butyl-5-oxo-1-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]methyl]phenyl]-4-propylphenyl]sulfonyl-2-chlorobenzamide

이름 및 동의어

CHEMBL316299SCHEMBL9142855RGUYQWOEKYEDNB-UHFFFAOYSA-NBDBM502837614''-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,5-dihydro-[1,2,4]triazol-4-ylmethyl]-5-propyl-biphenyl-2-sulfonic acid 2-chloro-benzoylamide5-n-Butyl-4-[[2'-[N-(2-chlorobenzoyl)sulfamoyl]-5'-n-propylbiphenyl-4-yl]methyl]-2,4-dihydro-2-[2-(trifluoromethyl)phenyl]-3H-1,2,4-triazol-3-one

데이터베이스 식별자

PubChem CID
19939409
ChEMBL
CHEMBL316299

물성

구조 계산 물성

XLogP
8.9
극성 표면적
108 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
8
회전 가능 결합 수
12
무거운 원자 수
49

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