(+/-)-3,5-Dimethylphenyl cis-4-[1-[3,5-bis(trifluoromethyl) benzoyl]-2-(phenylmethyl)-4-piperidinyl]-alpha-phenyl-1-piperazineacetate
기본 정보
- 표준 SMILES
Cc1cc(C)cc(OC(=O)C(c2ccccc2)N2CCN([C@H]3CCN(C(=O)c4cc(C(F)(F)F)cc(C(F)(F)F)c4)[C@@H](Cc4ccccc4)C3)CC2)c1- InChIKey
OPURCAGLPVUBJP-FWBANIIHSA-N- 분자식
- C41H41F6N3O3
- 평균 분자량
- 737.8 g/mol
이름 및 식별자
- 우선 이름
- (+/-)-3,5-Dimethylphenyl cis-4-[1-[3,5-bis(trifluoromethyl) benzoyl]-2-(phenylmethyl)-4-piperidinyl]-alpha-phenyl-1-piperazineacetate
- IUPAC
- (3,5-dimethylphenyl) 2-[4-[(2S,4S)-2-benzyl-1-[3,5-bis(trifluoromethyl)benzoyl]piperidin-4-yl]piperazin-1-yl]-2-phenylacetate
이름 및 동의어
OPURCAGLPVUBJP-FWBANIIHSA-N(+/-)-3,5-dimethylphenyl cis-4-[1-[3,5-bis(trifluoromethyl) benzoyl]-2-(phenylmethyl)-4-piperidinyl]-alpha-phenyl-1-piperazineacetate(+/-)-3,5-dimethylphenyl cis-4-[1-[3,5-bis(trifluoromethyl)benzoyl]-2-(phenylmethyl)-4-piperidinyl]-alpha-phenyl- 1-piperazine-acetate(+/-)-3,5-dimethylphenyl cis-4-[1-[3,5-bis(trifluoromethyl)benzoyl]-2-(phenylmethyl)-4-piperidinyl]-alpha-phenyl-1-piperazineacetate
데이터베이스 식별자
- PubChem CID
- 15513280
물성
구조 계산 물성
- XLogP
- 9.5
- 극성 표면적
- 53.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 53
- 형식 전하
- 0
- 복잡도
- 1,160
관련 반응
3건
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