Basic information
- Standard SMILES
CN1C(=O)C(F)(F)CN(C2CCC2)c2nc(Nc3ccc(C(=O)NC4CCOCC4)cc3)ncc21- InChIKey
HBMAHAVOKSITSJ-UHFFFAOYSA-N- Molecular formula
- C24H28F2N6O3
- Average molar mass
- 486.5 g/mol
Names & identifiers
- Preferred name
- 4-(9-cyclobutyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-ylamino)-N-(tetrahydro-pyran-4-yl)-benzamide
- IUPAC
- 4-[(9-cyclobutyl-7,7-difluoro-5-methyl-6-oxo-8H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-N-(oxan-4-yl)benzamide
Names & synonyms
4-(9-cyclobutyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-ylamino)-N-(tetrahydro-pyran-4-yl)-benzamideSCHEMBL1560238
Database identifiers
- PubChem CID
- 44547357
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 99.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 770
Related reactions
2 records
Compound notes
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