4-((alpha-R)-alpha-((2 S,5R)-4-allyl-2,5-dimethyl-1-piperazinyl)-3-trifluoromethylsulfonyloxybenzyl)-N,N-diethylbenzamide
기본 정보
- 표준 SMILES
C=CCN1C[C@H](C)N([C@H](c2ccc(C(=O)N(CC)CC)cc2)c2cccc(OS(=O)(=O)C(F)(F)F)c2)C[C@H]1C- InChIKey
QNZGVIPBTWNESK-YZIHRLCOSA-N- 분자식
- C28H36F3N3O4S
- 평균 분자량
- 567.7 g/mol
이름 및 식별자
- 우선 이름
- 4-((alpha-R)-alpha-((2 S,5R)-4-allyl-2,5-dimethyl-1-piperazinyl)-3-trifluoromethylsulfonyloxybenzyl)-N,N-diethylbenzamide
- IUPAC
- [3-[(R)-[4-(diethylcarbamoyl)phenyl]-[(2S,5R)-2,5-dimethyl-4-prop-2-enylpiperazin-1-yl]methyl]phenyl] trifluoromethanesulfonate
이름 및 동의어
4-((alpha-R)-alpha-((2 S,5R)-4-allyl-2,5-dimethyl-1-piperazinyl)-3-trifluoromethylsulfonyloxybenzyl)-N,N-diethylbenzamideSCHEMBL45770734-((alpha-r)-alpha-((2s,5r)-4-allyl-2,5-dimethyl-1-piperazinyl)-3-trifluoromethylsulfonyloxybenzyl) n,n-diethylbenzamide4-((alpha-r)-alpha-((2s,5r)-4-allyl-2,5-dimethyl-1-piperazinyl)-3-trifluoromethylsulfonyloxybenzyl)-n,n-diethylbenzamide
데이터베이스 식별자
- PubChem CID
- 58926540
물성
구조 계산 물성
- XLogP
- 5.7
- 극성 표면적
- 78.5 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 39
- 형식 전하
- 0
- 복잡도
- 914
관련 반응
6건
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