2-[3,5-Bis(trifluoromethyl)phenyl]-n{4-(2-chloro-4-fluorophenyl)-6-[(7s,9as)-7-(hydroxymethyl)hexahydropyrazino[2,1-c][1,4]oxazin-8(1h)-yl]-3-pyridinyl}-n,2-dimethylpropanamide hydrochloride
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기본 정보
- 표준 SMILES
CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(N2C[C@H]3COCCN3C[C@H]2CO)cc1-c1ccc(F)cc1Cl.Cl- InChIKey
KGKIHPQSXJWTCU-SJEIDVEUSA-N- 분자식
- C32H33Cl2F7N4O3
- 평균 분자량
- 725.5 g/mol
이름 및 식별자
- 우선 이름
- 2-[3,5-Bis(trifluoromethyl)phenyl]-n{4-(2-chloro-4-fluorophenyl)-6-[(7s,9as)-7-(hydroxymethyl)hexahydropyrazino[2,1-c][1,4]oxazin-8(1h)-yl]-3-pyridinyl}-n,2-dimethylpropanamide hydrochloride
- IUPAC
- N-[6-[(7S,9aS)-7-(hydroxymethyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-4-(2-chloro-4-fluorophenyl)-3-pyridinyl]-2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethylpropanamide;hydrochloride
이름 및 동의어
2-[3,5-bis(trifluoromethyl)phenyl]-n{4-(2-chloro-4-fluorophenyl)-6-[(7s,9as)-7-(hydroxymethyl)hexahydropyrazino[2,1-c][1,4]oxazin-8(1h)-yl]-3-pyridinyl}-n,2-dimethylpropanamide hydrochlorideSCHEMBL33368562-[3,5-bis(trifluoromethyl)phenyl]-N-{4-(2-chloro-4-fluorophenyl)-6-[(7S,9aS)-7-(hydroxymethyl)hexahydropyrazino[2,1-c][1,4]oxazin-8(1H)-yl]-3-pyridinyl}-N,2-dimethylpropanamide hydrochloride2-[3,5-bis(trifluoromethyl)phenyl]-n{4-(2-chloro-4-fluorophenyl) -6-[(7s,9as)-7-(hydroxymethyl)hexahydropyrazino[2,1-c][1,4]oxazin-8(1h)-yl]-3-pyridinyl}-n,2-dimethylpropanamide hydrochloride
데이터베이스 식별자
- PubChem CID
- 16063950
물성
구조 계산 물성보충 중
- 극성 표면적
- 69.1 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 13
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 48
- 형식 전하
- 0
- 복잡도
- 1,060
관련 반응
3건
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