4-(2-(5-bromo-4-(7-methoxy-4-methylnaphthalen-1-yl)-4H-1,2,4-triazol-3-ylthio)acetamido)-3-chlorobenzoic acid

HCID 16058697

기본 정보

표준 SMILES
COc1ccc2c(C)ccc(-n3c(Br)nnc3SCC(=O)Nc3ccc(C(=O)O)cc3Cl)c2c1
InChIKey
ZDLCTHSOPGEYMR-UHFFFAOYSA-N
분자식
C23H18BrClN4O4S
평균 분자량
561.8 g/mol
단동위원소 질량
559.99207

이름 및 식별자

우선 이름
4-(2-(5-bromo-4-(7-methoxy-4-methylnaphthalen-1-yl)-4H-1,2,4-triazol-3-ylthio)acetamido)-3-chlorobenzoic acid
IUPAC
4-[[2-[[5-bromo-4-(7-methoxy-4-methylnaphthalen-1-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-chlorobenzoic acid

이름 및 동의어

4-(2-(5-bromo-4-(7-methoxy-4-methylnaphthalen-1-yl)-4H-1,2,4-triazol-3-ylthio)acetamido)-3-chlorobenzoic acid4-[2-(5-bromo-4-[7-methoxy-4-methylnaphthalen-1-yl]-4H-1,2,4-triazol-3-ylthio)acetamido]-3-chlorobenzoic acidSCHEMBL248911ZDLCTHSOPGEYMR-UHFFFAOYSA-N4-[[2-[[5-bromo-4-(7-methoxy-4-methyl-1-naphthyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-chloro-benzoic acidBenzoic acid, 4-[[[[5-bromo-4-(4-methyl-7-methoxy-1-naphthalenyl)-4H-1,2,4-triazol-3-yl]thio]acetyl]amino]-3-chloro-

데이터베이스 식별자

PubChem CID
16058697

물성

구조 계산 물성

XLogP
5.6
극성 표면적
132 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
7
회전 가능 결합 수
7
무거운 원자 수
34

관련 반응

13건

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