기본 정보
- CAS
178980-34-2- 표준 SMILES
CC(C)c1nc(CCOC(N)=O)n(Cc2ccc(N)cc2)c1Sc1cc(Cl)cc(Cl)c1- InChIKey
XJVHNBATIXNKPA-UHFFFAOYSA-N- 분자식
- C22H24Cl2N4O2S
- 평균 분자량
- 479.4 g/mol
- 단동위원소 질량
- 478.09970237
이름 및 식별자
- 우선 이름
- 1H-Imidazole-2-ethanol, 1-((4-aminophenyl)methyl)-5-((3,5-dichlorophenyl)thio)-4-(1-methylethyl)-, carbamate (ester)
- IUPAC
- 2-[1-[(4-aminophenyl)methyl]-5-(3,5-dichlorophenyl)sulfanyl-4-propan-2-ylimidazol-2-yl]ethyl carbamate
이름 및 동의어
178980-34-21H-Imidazole-2-ethanol, 1-((4-aminophenyl)methyl)-5-((3,5-dichlorophenyl)thio)-4-(1-methylethyl)-, carbamate (ester)1H-Imidazole-2-ethanol, 1-[(4-aminophenyl)methyl]-5-[(3,5-dichlorophenyl)thio]-4-(1-methylethyl)-, carbamate (ester)SCHEMBL6966285DTXSID10170723XJVHNBATIXNKPA-UHFFFAOYSA-N1-(p-aminobenzyl)-2-(2-carbamoyloxyethyl)-5-(3,5-dichlorophenylthio)-4-isopropyl-1H-imidazole2-[1-[(4-aminophenyl)methyl]-5-(3,5-dichlorophenyl)sulfanyl-4-isopropyl-imidazol-2-yl]ethyl carbamate2-{1-[(4-Aminophenyl)methyl]-5-[(3,5-dichlorophenyl)sulfanyl]-4-(propan-2-yl)-1H-imidazol-2-yl}ethyl carbamate
데이터베이스 식별자
- CAS
178980-34-2- PubChem CID
- 474070
- DTXSID
DTXSID10170723
물성
구조 계산 물성
- XLogP
- 5.4
- 극성 표면적
- 121 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 31
- 형식 전하
- 0
- 복잡도
- 570
관련 반응
3건
화합물 노트
불러오는 중…