基本信息
- 标准SMILES
Cc1cc(=O)n(C)nc1-c1ccc([C@H](C)N2CC[C@](CC(C)(C)O)(c3ccccc3)OC2=O)cc1- InChIKey
CEYMUNJCMDJNBN-MMTVBGGISA-N- 分子式
- C28H33N3O4
- 平均分子量
- 475.6 g/mol
名称与标识
- 首选名称
- 3-{(S)-1-[4-(1,4-Dimethyl-6-oxo-1,6-dihydro-pyridazin-3-yl)-phenyl]-ethyl}-(S)-6-(2-hydroxy-2-methyl-propyl)-6-phenyl-[1,3]oxazinan-2-one
- IUPAC
- (6S)-3-[(1S)-1-[4-(1,4-dimethyl-6-oxopyridazin-3-yl)phenyl]ethyl]-6-(2-hydroxy-2-methylpropyl)-6-phenyl-1,3-oxazinan-2-one
名称与别名
SCHEMBL959530CHEMBL3645517CEYMUNJCMDJNBN-MMTVBGGISA-NBDBM107478US8592410, 183-{(S)-1-[4-(1,4-Dimethyl-6-oxo-1,6-dihydro-pyridazin-3-yl)-phenyl]-ethyl}-(S)-6-(2-hydroxy-2-methyl-propyl)-6-phenyl-[1,3]oxazinan-2-one
数据库标识
- PubChem CID
- 42607222
- ChEMBL
CHEMBL3645517
性质
结构计算性质
- XLogP
- 3.7
- 极性表面积
- 82.4 Ų
- 氢键供体
- 1
- 氢键受体
- 5
- 可旋转键
- 6
- 重原子
- 35
- 形式电荷
- 0
- 复杂度
- 867
相关反应
1 条
化合物笔记
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