4-(2-(5-bromo-4-(2-chloro-4-cyclopropyl-6-methylphenyl)-4H-1,2,4-triazol-3-ylthio)acetamido)-3-chlorobenzoic acid

HCID 16221815

기본 정보

표준 SMILES
Cc1cc(C2CC2)cc(Cl)c1-n1c(Br)nnc1SCC(=O)Nc1ccc(C(=O)O)cc1Cl
InChIKey
BOKRFMXGMBWROD-UHFFFAOYSA-N
분자식
C21H17BrCl2N4O3S
평균 분자량
556.3 g/mol
단동위원소 질량
553.95818

이름 및 식별자

우선 이름
4-(2-(5-bromo-4-(2-chloro-4-cyclopropyl-6-methylphenyl)-4H-1,2,4-triazol-3-ylthio)acetamido)-3-chlorobenzoic acid
IUPAC
4-[[2-[[5-bromo-4-(2-chloro-4-cyclopropyl-6-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-chlorobenzoic acid

이름 및 동의어

SCHEMBL249510BOKRFMXGMBWROD-UHFFFAOYSA-N4-(2-(5-bromo-4-(2-chloro-4-cyclopropyl-6-methylphenyl)-4H-1,2,4-triazol-3-ylthio)acetamido)-3-chlorobenzoic acid4-[[2-[[5-bromo-4-(2-chloro-4-cyclopropyl-6-methyl-phenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-chloro-benzoic acidBenzoic acid, 4-[[[[5-bromo-4-(2-methyl-4-cyclopropyl-6-chlorophenyl)-4H-1,2,4-triazol-3-yl]thio]acetyl]amino]-3-chloro-

데이터베이스 식별자

PubChem CID
16221815

물성

구조 계산 물성

XLogP
5.9
극성 표면적
122 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
6
회전 가능 결합 수
7
무거운 원자 수
32

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10건

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