Methyl 2-butyl-1-[[2'-(2,5-dihydro-5-thioxo-1,2,4-oxadiazol-3-yl)biphenyl-4-yl]methyl]benzimidazol-7-carboxylate

HCID 10649000

기본 정보

표준 SMILES
CCCCc1nc2cccc(C(=O)OC)c2n1Cc1ccc(-c2ccccc2-c2nc(=S)o[nH]2)cc1
InChIKey
HRRMKHNTCGBOJB-UHFFFAOYSA-N
분자식
C28H26N4O3S
평균 분자량
498.6 g/mol

이름 및 식별자

우선 이름
Methyl 2-butyl-1-[[2'-(2,5-dihydro-5-thioxo-1,2,4-oxadiazol-3-yl)biphenyl-4-yl]methyl]benzimidazol-7-carboxylate
IUPAC
methyl 2-butyl-3-[[4-[2-(5-sulfanylidene-2H-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate

이름 및 동의어

CHEMBL150049SCHEMBL7015611HRRMKHNTCGBOJB-UHFFFAOYSA-NMethyl 2-butyl-1-[[2'-(2,5-dihydro-5-thioxo-1,2,4-oxadiazol-3-yl)biphenyl-4-yl]methyl]benzimidazol-7-carboxylateMethyl 2-butyl-1-[[2'-(2.5-dihydro-5-thioxo-1,2,4-oxadiazol-3-yl)biphenyl-4-yl]methyl]benzimidazol-7-carboxylate

데이터베이스 식별자

PubChem CID
10649000
ChEMBL
CHEMBL150049

물성

구조 계산 물성

XLogP
6.4
극성 표면적
110 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
5
회전 가능 결합 수
9
무거운 원자 수
36

관련 반응

5건

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