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Basic information
- Standard SMILES
Cc1nc(-c2ccc([C@@H]3COCCN(c4nc(-c5ccncn5)cc(=O)n4C)C3)cc2)no1- InChIKey
ZZJWWFRSNGAQCS-SFHVURJKSA-N- Molecular formula
- C23H23N7O3
- Average molar mass
- 445.5 g/mol
- Monoisotopic mass
- 445.18623762
Names & identifiers
- Preferred name
- (S)-3-methyl-2-(6-(4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl)-[1,4]oxazepan-4-yl)-6-(pyrimidin-4-yl)pyrimidin-4(3H)-one
- IUPAC
- 3-methyl-2-[(6S)-6-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,4-oxazepan-4-yl]-6-pyrimidin-4-ylpyrimidin-4-one
Names & synonyms
SCHEMBL2116576ZZJWWFRSNGAQCS-SFHVURJKSA-N(S)-3-methyl-2-(6-(4-(5-methyl-1,2,4- oxadiazol-3-yl)phenyl)-[1,4]oxazepan-4-yl)-6-(pyrimidin-4-yl)pyrimidin-4(3H)-one(S)-3-methyl-2-(6-(4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl)-[1,4]oxazepan-4-yl)-6-(pyrimidin-4-yl)pyrimidin-4(3H)-one
Database identifiers
- PubChem CID
- 67282002
Properties
Computed structural propertiesFilling in
- XLogP
- 1.1
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 767
Related reactions
1 records
Compound notes
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