2-[3,5-bis(trifluoromethyl)phenyl]-N-[6-[(7S,9aS)-7-({[(1,1-dimethylethyl)(dimethyl)silyl]oxy}methyl)hexahydropyrazino[2,1-c][1,4]oxazin-8(1H)-yl]-4-(5-fluoro-2-methylphenyl)-3-pyridinyl]-N,2-dimethylpropanamide

HCID 59215895

기본 정보

표준 SMILES
Cc1ccc(F)cc1-c1cc(N2C[C@H]3COCCN3C[C@H]2CO[Si](C)(C)C(C)(C)C)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIKey
PYQUDSNLOYUTCJ-KYJUHHDHSA-N
분자식
C39H49F7N4O3Si
평균 분자량
782.9 g/mol
단동위원소 질량
782.34621511

이름 및 식별자

우선 이름
2-[3,5-bis(trifluoromethyl)phenyl]-N-[6-[(7S,9aS)-7-({[(1,1-dimethylethyl)(dimethyl)silyl]oxy}methyl)hexahydropyrazino[2,1-c][1,4]oxazin-8(1H)-yl]-4-(5-fluoro-2-methylphenyl)-3-pyridinyl]-N,2-dimethylpropanamide
IUPAC
N-[6-[(7S,9aS)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-4-(5-fluoro-2-methylphenyl)-3-pyridinyl]-2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethylpropanamide

이름 및 동의어

2-[3,5-bis(trifluoromethyl)phenyl]-N-[6-[(7S,9aS)-7-({[(1,1-dimethylethyl)(dimethyl)silyl]oxy}methyl)hexahydropyrazino[2,1-c][1,4]oxazin-8(1H)-yl]-4-(5-fluoro-2-methylphenyl)-3-pyridinyl]-N,2-dimethylpropanamideSCHEMBL3376292-[3,5-bis(trifluoromethyl)phenyl]-n-[6-[(7s,9as)-7-({[(1,1-dimethylethyl)(dimethyl)silyl]oxy}methyl)hexahydropyrazino[2,1-c][1,4]oxazin-8(1h) -yl]-4-(5-fluoro-2-methylphenyl)-3-pyridinyl]-n,2-dimethylpropanamide

데이터베이스 식별자

PubChem CID
59215895

물성

구조 계산 물성

극성 표면적
58.1 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
13
회전 가능 결합 수
9
무거운 원자 수
54

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