3-{3-Butyl-4-[2''-(2-chloro-benzoylsulfamoyl)-biphenyl-4-ylmethyl]-5-oxo-4,5-dihydro-[1,2,4]triazol-1-yl}-4-chloro-benzoic acid methyl ester (HCID 10372497)

기본 정보

표준 SMILES: CCCCc1nn(-c2cc(C(=O)OC)ccc2Cl)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2Cl)cc1
InChIKey: WWBXIWQFUHZXCI-UHFFFAOYSA-N
분자식: C34H30Cl2N4O6S
평균 분자량: 693.6 g/mol

이름 및 식별자

우선 이름: 3-{3-Butyl-4-[2''-(2-chloro-benzoylsulfamoyl)-biphenyl-4-ylmethyl]-5-oxo-4,5-dihydro-[1,2,4]triazol-1-yl}-4-chloro-benzoic acid methyl ester
IUPAC: methyl 3-[3-butyl-4-[[4-[2-[(2-chlorobenzoyl)sulfamoyl]phenyl]phenyl]methyl]-5-oxo-1,2,4-triazol-1-yl]-4-chlorobenzoate

이름 및 동의어

CHEMBL341783SCHEMBL9144309WWBXIWQFUHZXCI-UHFFFAOYSA-NBDBM500354603-{3-Butyl-4-[2''-(2-chloro-benzoylsulfamoyl)-biphenyl-4-ylmethyl]-5-oxo-4,5-dihydro-[1,2,4]triazol-1-yl}-4-chloro-benzoic acid methyl ester5-n-butyl-2-[5-(carbomethoxy)-2-chlorophenyl]-4-[[2'-[N-(2-chlorobenzoyl)-sulfamoyl]-biphenyl-4-yl]methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one5-n-Butyl-2-[5-(carbomethoxy)-2-chlorophenyl]-4-[[2'-[N-(2-chlorobenzoyl)sulfamoyl]biphenyl-4-yl]methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one

데이터베이스 식별자

PubChem CID: 10372497
ChEMBL: CHEMBL341783

물성

구조 계산 물성

XLogP: 7.1
극성 표면적: 134 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 7
회전 가능 결합 수: 12
무거운 원자 수: 47
형식 전하: 0
복잡도: 1,250

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