기본 정보
- CAS
306298-26-0- 표준 SMILES
COC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCN(C2(C)CCN(C(=O)OC(C)(C)C)CC2)C[C@@H]1C- InChIKey
LABHEHCWUFFHCE-UGKGYDQZSA-N- 분자식
- C26H40F3N3O3
- 평균 분자량
- 499.6 g/mol
- 단동위원소 질량
- 499.30217663
이름 및 식별자
- 우선 이름
- Tert-butyl 4-((s)-4-((r)-2-methoxy-1-(4-(trifluoromethyl)phenyl)ethyl)-3-methylpiperazin-1-yl)-4-methylpiperidine-1-carboxylate
- IUPAC
- tert-butyl 4-[(3S)-4-[(1R)-2-methoxy-1-[4-(trifluoromethyl)phenyl]ethyl]-3-methylpiperazin-1-yl]-4-methylpiperidine-1-carboxylate
- 영어명
- tert-butyl 4-((S)-4-((R)-2-Methoxy-1-(4-(trifluoroMethyl)phenyl)ethyl)-3-Methylpiperazin-1-yl)-4-Methylpiperidine-1-carboxylate
- 분자식
- C26H40F3N3O3
- 분자량
- 499.61
이름 및 동의어
306298-26-0tert-butyl 4-((s)-4-((r)-2-methoxy-1-(4-(trifluoromethyl)phenyl)ethyl)-3-methylpiperazin-1-yl)-4-methylpiperidine-1-carboxylatetert-butyl 4-[(3S)-4-[(1R)-2-methoxy-1-[4-(trifluoromethyl)phenyl]ethyl]-3-methylpiperazin-1-yl]-4-methylpiperidine-1-carboxylateDTXSID101101638AKOS015924411DB-3529611,1-Dimethylethyl 4-[(3S)-4-[(1R)-2-methoxy-1-[4-(trifluoromethyl)phenyl]ethyl]-3-methyl-1-piperazinyl]-4-methyl-1-piperidinecarboxylate1-Piperidinecarboxylic acid, 4-[(3S)-4-[(1R)-2-methoxy-1-[4-(trifluoromethyl)phenyl]ethyl]-3-methyl-1-piperazinyl]-4-methyl-, 1,1-dimethylethyl ester
데이터베이스 식별자
- CAS
306298-26-0- PubChem CID
- 29945238
- DTXSID
DTXSID101101638
물성
구조 계산 물성
- XLogP
- 4.4
- 극성 표면적
- 45.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 35
- 형식 전하
- 0
- 복잡도
- 696
화학 및 산업
상·하류 제품 정보
하류 제품
공급사2 곳
南京友杰医药科技有限公司18860950986 · [email protected]
苏州美石生物科技有限公司1173954148q · [email protected]
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