Basic information
- Standard SMILES
COc1cc(Nc2ncc3c(n2)O[C@H](c2ccccc2)CN(C)C3)ccc1-n1cnc(C)c1- InChIKey
VTEVLPWECNGXBI-QHCPKHFHSA-N- Molecular formula
- C25H26N6O2
- Average molar mass
- 442.5 g/mol
Names & identifiers
- Preferred name
- (R)-N-(3-methoxy-4-(4-methyl-1H-imidazol-1-yl)phenyl)-6-methyl-8-phenyl-5,6,7,8-tetrahydropyrimido[5,4-f][1,4]oxazepin-2-amine
- IUPAC
- (8R)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-6-methyl-8-phenyl-7,8-dihydro-5H-pyrimido[5,4-f][1,4]oxazepin-2-amine
Names & synonyms
SCHEMBL3749787VTEVLPWECNGXBI-QHCPKHFHSA-N(R)-N-(3-methoxy-4-(4-methyl-1H-imidazol-1-yl)phenyl)-6-methyl-8-phenyl-5,6,7,8-tetrahydropyrimido[5,4-f][1,4]oxazepin-2-amine
Database identifiers
- PubChem CID
- 49820859
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 77.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 620
Related reactions
7 records
Linked notes
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