1H-Imidazole-2-methanol, 5-((3,5-dichlorophenyl)thio)-4-(1-methylethyl)-1-((2-nitrophenyl)methyl)-

HCID 474034

기본 정보

CAS
178980-73-9
표준 SMILES
CC(C)c1nc(CO)n(Cc2ccccc2[N+](=O)[O-])c1Sc1cc(Cl)cc(Cl)c1
InChIKey
RCWRXNRCVRXRBM-UHFFFAOYSA-N
분자식
C20H19Cl2N3O3S
평균 분자량
452.4 g/mol
단동위원소 질량
451.052418

이름 및 식별자

우선 이름
1H-Imidazole-2-methanol, 5-((3,5-dichlorophenyl)thio)-4-(1-methylethyl)-1-((2-nitrophenyl)methyl)-
IUPAC
[5-(3,5-dichlorophenyl)sulfanyl-1-[(2-nitrophenyl)methyl]-4-propan-2-ylimidazol-2-yl]methanol

이름 및 동의어

178980-73-91H-Imidazole-2-methanol, 5-((3,5-dichlorophenyl)thio)-4-(1-methylethyl)-1-((2-nitrophenyl)methyl)-1H-Imidazole-2-methanol, 5-[(3,5-dichlorophenyl)thio]-4-(1-methylethyl)-1-[(2-nitrophenyl)methyl]-SCHEMBL6964071DTXSID80170750RCWRXNRCVRXRBM-UHFFFAOYSA-N5-(3,5-dichlorophenylthio)-2-hydroxymethyl-4-isopropyl-1-(o-nitrobenzyl)-1H-imidazole[5-(3,5-dichlorophenyl)sulfanyl-4-isopropyl-1-[(2-nitrophenyl)methyl]imidazol-2-yl]methanol{5-[(3,5-Dichlorophenyl)sulfanyl]-1-[(2-nitrophenyl)methyl]-4-(propan-2-yl)-1H-imidazol-2-yl}methanol

데이터베이스 식별자

CAS
178980-73-9
PubChem CID
474034
DTXSID
DTXSID80170750

물성

구조 계산 물성

XLogP
5.4
극성 표면적
109 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
5
회전 가능 결합 수
6
무거운 원자 수
29

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5건

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