기본 정보
- CAS
178980-72-8- 표준 SMILES
CC(C)c1nc(CO)n(Cc2cccc([N+](=O)[O-])c2)c1Sc1cc(Cl)cc(Cl)c1- InChIKey
RUVCHUMRPHZMHF-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-((3-nitrophenyl)methyl)-
- IUPAC
- [5-(3,5-dichlorophenyl)sulfanyl-1-[(3-nitrophenyl)methyl]-4-propan-2-ylimidazol-2-yl]methanol
이름 및 동의어
178980-72-81H-Imidazole-2-methanol, 5-((3,5-dichlorophenyl)thio)-4-(1-methylethyl)-1-((3-nitrophenyl)methyl)-1H-Imidazole-2-methanol, 5-[(3,5-dichlorophenyl)thio]-4-(1-methylethyl)-1-[(3-nitrophenyl)methyl]-SCHEMBL6970372DTXSID70170749RUVCHUMRPHZMHF-UHFFFAOYSA-N5-(3,5-dichlorophenylthio)-2-hydroxymethyl-4-isopropyl-1-(m-nitrobenzyl)-1H-imidazole[5-(3,5-dichlorophenyl)sulfanyl-4-isopropyl-1-[(3-nitrophenyl)methyl]imidazol-2-yl]methanol{5-[(3,5-Dichlorophenyl)sulfanyl]-1-[(3-nitrophenyl)methyl]-4-(propan-2-yl)-1H-imidazol-2-yl}methanol
데이터베이스 식별자
- CAS
178980-72-8- PubChem CID
- 474032
- DTXSID
DTXSID70170749
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
- 형식 전하
- 0
- 복잡도
- 544
관련 반응
3건
화합물 노트
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