Basic information
- Standard SMILES
Cc1cc(=O)n(C)nc1-c1ccc([C@H](C)N2CC[C@](CC(C)(C)O)(c3ccccc3)OC2=O)cc1- InChIKey
CEYMUNJCMDJNBN-MMTVBGGISA-N- Molecular formula
- C28H33N3O4
- Average molar mass
- 475.6 g/mol
Names & identifiers
- Preferred name
- 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
Names & synonyms
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
Database identifiers
- PubChem CID
- 42607222
- ChEMBL
CHEMBL3645517
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 82.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 867
Related reactions
1 records
Compound notes
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