(+)-2-{7-[4-(5-methyl-[1,2,4]-oxadiazole-3-yl)phenyl]-[1,4]-oxazepane-4-yl}-3-methyl-6-pyrimidin-4-yl-3H-pyrimidin-4-one
Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
Cc1nc(-c2ccc(C3CCN(c4nc(-c5ccncn5)cc(=O)n4C)CCO3)cc2)no1- InChIKey
JEGFOWSYIAFXPN-UHFFFAOYSA-N- Molecular formula
- C23H23N7O3
- Average molar mass
- 445.5 g/mol
Names & identifiers
- Preferred name
- (+)-2-{7-[4-(5-methyl-[1,2,4]-oxadiazole-3-yl)phenyl]-[1,4]-oxazepane-4-yl}-3-methyl-6-pyrimidin-4-yl-3H-pyrimidin-4-one
- IUPAC
- 3-methyl-2-[7-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,4-oxazepan-4-yl]-6-pyrimidin-4-ylpyrimidin-4-one
Names & synonyms
SCHEMBL2114659JEGFOWSYIAFXPN-UHFFFAOYSA-N(+)-2-{7-[4-(5-methyl-[1,2,4]-oxadiazole-3-yl)phenyl]-[1,4]-oxazepane-4-yl}-3-methyl-6-pyrimidin-4-yl-3H-pyrimidin-4-one2-{7-[4-(5-methyl-[1,2,4]-oxadiazole-3-yl)phenyl]-[1,4]-oxazepane-4-yl}-3-methyl-6-pyrimidin-4-yl-3H-pyrimidin-4-one
Database identifiers
- PubChem CID
- 67281171
Properties
Computed structural propertiesFilling in
- XLogP
- 1.2
- 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
2 records
Compound notes
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