Basic information
- Standard SMILES
COc1cc(C(=O)NCCCN(C)C)ccc1Nc1ncc2c(n1)N(C1CCC1)CC(F)(F)C(=O)N2C- InChIKey
PGHBBDMNKBAQNE-UHFFFAOYSA-N- Molecular formula
- C25H33F2N7O3
- Average molar mass
- 517.6 g/mol
- Monoisotopic mass
- 517.26129426
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-(3-dimethylamino-propyl)-3-methoxy-benzamide
- IUPAC
- 4-[(9-cyclobutyl-7,7-difluoro-5-methyl-6-oxo-8H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-N-[3-(dimethylamino)propyl]-3-methoxybenzamide
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-(3-dimethylamino-propyl)-3-methoxy-benzamideSCHEMBL1559015
Database identifiers
- PubChem CID
- 44547204
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 9
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 800
Related reactions
1 records
Compound notes
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