4''-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,5-dihydro-[1,2,4]triazol-4-ylmethyl]-biphenyl-2-sulfonic acid (2,2-dimethyl-propionyl)-amide

HCID 10326460
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)C(C)(C)C)cc1
InChIKey
IOSUNMRKYMXORJ-UHFFFAOYSA-N
분자식
C31H33F3N4O4S
평균 분자량
614.7 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]-biphenyl-2-sulfonic acid (2,2-dimethyl-propionyl)-amide
IUPAC
N-[2-[4-[[3-butyl-5-oxo-1-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]methyl]phenyl]phenyl]sulfonyl-2,2-dimethylpropanamide

이름 및 동의어

CHEMBL978974''-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,5-dihydro-[1,2,4]triazol-4-ylmethyl]-biphenyl-2-sulfonic acid (2,2-dimethyl-propionyl)-amideSCHEMBL9144443BDBM500398745-n-Butyl-2,4-dihydro-4-[[2'-(N-pivaloylsulfamoyl)biphenyl-4-yl]methyl]-2-[2-(trifluoromethyl)phenyl]-3H-1,2,4-triazol-3-one

데이터베이스 식별자

PubChem CID
10326460
ChEMBL
CHEMBL97897
Nikkaji
J602.204I

물성

구조 계산 물성

XLogP
6.6
극성 표면적
108 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
8
회전 가능 결합 수
10
무거운 원자 수
43

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