2-[5-Chloro-2-(5,5-dimethyl-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-7-ylamino)-pyrimidin-4-ylamino]-5-methoxy-N-methyl-benzamide
Basic information
- Standard SMILES
CNC(=O)c1cc(OC)ccc1Nc1nc(Nc2ccc3c(c2)C(C)(C)CCC(=O)N3)ncc1Cl- InChIKey
KKHMTMQFAFTCJG-UHFFFAOYSA-N- Molecular formula
- C25H27ClN6O3
- Average molar mass
- 495 g/mol
Names & identifiers
- Preferred name
- 2-[5-Chloro-2-(5,5-dimethyl-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-7-ylamino)-pyrimidin-4-ylamino]-5-methoxy-N-methyl-benzamide
- IUPAC
- 2-[[5-chloro-2-[(5,5-dimethyl-2-oxo-3,4-dihydro-1H-1-benzazepin-7-yl)amino]pyrimidin-4-yl]amino]-5-methoxy-N-methylbenzamide
Names & synonyms
SCHEMBL885619KKHMTMQFAFTCJG-UHFFFAOYSA-N2-[5-Chloro-2-(5,5-dimethyl-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-7-ylamino)-pyrimidin-4-ylamino]-5-methoxy-N-methyl-benzamide
Database identifiers
- PubChem CID
- 66829902
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 755
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Related reactions
3 records
Compound notes
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