Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
CN1C(=O)CCCc2cc(Nc3ncc(Cl)c(Nc4ccccc4C(=O)NCCC#N)n3)ccc21- InChIKey
OENOAWVVBTWUJR-UHFFFAOYSA-N- Molecular formula
- C25H24ClN7O2
- Average molar mass
- 490 g/mol
- Monoisotopic mass
- 489.1680007
Names & identifiers
- Preferred name
- 2-[5-Chloro-2-(1-methyl-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-7-ylamino)-pyrimidin-4-ylamino]-N-(2-cyano-ethyl)-benzamide
- IUPAC
- 2-[[5-chloro-2-[(1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-7-yl)amino]pyrimidin-4-yl]amino]-N-(2-cyanoethyl)benzamide
Names & synonyms
SCHEMBL885807OENOAWVVBTWUJR-UHFFFAOYSA-N2-[5-Chloro-2-(1-methyl-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-7-ylamino)-pyrimidin-4-ylamino]-N-(2-cyano-ethyl)-benzamide
Database identifiers
- PubChem CID
- 66830003
Properties
Computed structural propertiesFilling in
- XLogP
- 3.8
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 789
Related reactions
3 records
Compound notes
Loading…