기본 정보
- CAS
178980-69-3- 표준 SMILES
CC(C)c1nc(CCOC(N)=O)n(Cc2ccc([N+](=O)[O-])cc2)c1Sc1cc(Cl)cc(Cl)c1- InChIKey
GDQPXQLXGBFNGN-UHFFFAOYSA-N- 분자식
- C22H22Cl2N4O4S
- 평균 분자량
- 509.4 g/mol
- 단동위원소 질량
- 508.07388154
이름 및 식별자
- 우선 이름
- 1H-Imidazole-2-ethanol, 5-((3,5-dichlorophenyl)thio)-4-(1-methylethyl)-1-((4-nitrophenyl)methyl)-, carbamate (ester)
- IUPAC
- 2-[5-(3,5-dichlorophenyl)sulfanyl-1-[(4-nitrophenyl)methyl]-4-propan-2-ylimidazol-2-yl]ethyl carbamate
이름 및 동의어
178980-69-31H-Imidazole-2-ethanol, 5-((3,5-dichlorophenyl)thio)-4-(1-methylethyl)-1-((4-nitrophenyl)methyl)-, carbamate (ester)1H-Imidazole-2-ethanol, 5-[(3,5-dichlorophenyl)thio]-4-(1-methylethyl)-1-[(4-nitrophenyl)methyl]-, carbamate (ester)SCHEMBL6962314DTXSID90170746GDQPXQLXGBFNGN-UHFFFAOYSA-N2-(2-carbamoyloxyethyl)-5-(3,5-dichlorophenylthio)-4-isopropyl-1-(p-nitrobenzyl)-1H-imidazole2-[5-(3,5-dichlorophenyl)sulfanyl-4-isopropyl-1-[(4-nitrophenyl)methyl]imidazol-2-yl]ethyl carbamate2-{5-[(3,5-Dichlorophenyl)sulfanyl]-1-[(4-nitrophenyl)methyl]-4-(propan-2-yl)-1H-imidazol-2-yl}ethyl carbamate
데이터베이스 식별자
- CAS
178980-69-3- PubChem CID
- 474069
- DTXSID
DTXSID90170746
물성
구조 계산 물성
- XLogP
- 5.9
- 극성 표면적
- 141 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 33
- 형식 전하
- 0
- 복잡도
- 653
관련 반응
7건
화합물 노트
불러오는 중…