Basic information
- Standard SMILES
CNC(=O)c1ccccc1Nc1nc(Nc2cc3c(cc2OC)CCN(CCN2CCOCC2)CC3)ncc1Cl- InChIKey
USWSZFRSBIHZAM-UHFFFAOYSA-N- Molecular formula
- C29H36ClN7O3
- Average molar mass
- 566.1 g/mol
- Monoisotopic mass
- 565.2568157
Names & identifiers
- Preferred name
- 2-{5-Chloro-2-[8-methoxy-3-(2-morpholin-4-yl-ethyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-7-ylamino]-pyrimidin-4-ylamino}-N-methyl-benzamide
- IUPAC
- 2-[[5-chloro-2-[[7-methoxy-3-(2-morpholin-4-ylethyl)-1,2,4,5-tetrahydro-3-benzazepin-8-yl]amino]pyrimidin-4-yl]amino]-N-methylbenzamide
Names & synonyms
SCHEMBL886454USWSZFRSBIHZAM-UHFFFAOYSA-N2-{5-Chloro-2-[8-methoxy-3-(2-morpholin-4-yl-ethyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-7-ylamino]-pyrimidin-4-ylamino}-N-methyl-benzamide
Database identifiers
- PubChem CID
- 66830487
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 791
Related reactions
3 records
Compound notes
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