Basic information
- Standard SMILES
COc1cc(C(=O)NCCN(C)C)ccc1Nc1ncc2c(n1)N(C1CCC1)CC(F)(F)C(=O)N2C- InChIKey
XSZUPBHQHPFDSL-UHFFFAOYSA-N- Molecular formula
- C24H31F2N7O3
- Average molar mass
- 503.5 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-(2-dimethylamino-ethyl)-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-[2-(dimethylamino)ethyl]-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-(2-dimethylamino-ethyl)-3-methoxy-benzamideSCHEMBL1560236
Database identifiers
- PubChem CID
- 44547203
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 8
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 785
Related reactions
2 records
Compound notes
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