3-(4-Trifluoromethylphenyl)-2-propenyl(s)-4-{3-[2-(2-chloro-6-nitrophenylthio)-4-nitroimidazol-1-yl]-2-hydroxy-2-methylpropyl}piperazin-1-carboxylate
기본 정보
- 표준 SMILES
C[C@](O)(CN1CCN(C(=O)OCC=Cc2ccc(C(F)(F)F)cc2)CC1)Cn1cc([N+](=O)[O-])nc1Sc1c(Cl)cccc1[N+](=O)[O-]- InChIKey
XZXUXOJFNAHNEQ-MHZLTWQESA-N- 분자식
- C28H28ClF3N6O7S
- 평균 분자량
- 685.1 g/mol
- 단동위원소 질량
- 684.1380806
이름 및 식별자
- 우선 이름
- 3-(4-Trifluoromethylphenyl)-2-propenyl(s)-4-{3-[2-(2-chloro-6-nitrophenylthio)-4-nitroimidazol-1-yl]-2-hydroxy-2-methylpropyl}piperazin-1-carboxylate
- IUPAC
- 3-[4-(trifluoromethyl)phenyl]prop-2-enyl 4-[(2S)-3-[2-(2-chloro-6-nitrophenyl)sulfanyl-4-nitroimidazol-1-yl]-2-hydroxy-2-methylpropyl]piperazine-1-carboxylate
이름 및 동의어
3-(4-trifluoromethylphenyl)-2-propenyl(s)-4-{3-[2-(2-chloro-6-nitrophenylthio)-4-nitroimidazol-1-yl]-2-hydroxy-2-methylpropyl}piperazin-1-carboxylate3-(4-trifluoromethylphenyl)-2-propenyl (S)-4-{3-[2-(2-chloro-6-nitrophenylthio)-4-nitroimidazol-1-yl]-2-hydroxy-2-methylpropyl)piperazin-1-carboxylate3-(4-trifluoromethylphenyl)-2-propenyl (S)-4-{3-[2-(2-chloro-6-nitrophenylthio)-4-nitroimidazol-1-yl]-2-hydroxy-2-methylpropyl}piperazin-1-carboxylate
데이터베이스 식별자
- PubChem CID
- 86604373
물성
구조 계산 물성
- XLogP
- 5.3
- 극성 표면적
- 188 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 13
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 46
- 형식 전하
- 0
- 복잡도
- 1,090
관련 반응
6건
화합물 노트
불러오는 중…