3-[5-Chloro-2-(1-ethyl-5,5-dimethyl-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-8-ylamino)-pyrimidin-4-ylamino]-thiophene-2-carboxylic acid methylamide
Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
CCN1C(=O)CCC(C)(C)c2ccc(Nc3ncc(Cl)c(Nc4ccsc4C(=O)NC)n3)cc21- InChIKey
BYWOXDFMBXNIBB-UHFFFAOYSA-N- Molecular formula
- C24H27ClN6O2S
- Average molar mass
- 499 g/mol
- Monoisotopic mass
- 498.160473
Names & identifiers
- Preferred name
- 3-[5-Chloro-2-(1-ethyl-5,5-dimethyl-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-8-ylamino)-pyrimidin-4-ylamino]-thiophene-2-carboxylic acid methylamide
- IUPAC
- 3-[[5-chloro-2-[(1-ethyl-5,5-dimethyl-2-oxo-3,4-dihydro-1-benzazepin-8-yl)amino]pyrimidin-4-yl]amino]-N-methylthiophene-2-carboxamide
Names & synonyms
SCHEMBL886185BYWOXDFMBXNIBB-UHFFFAOYSA-N3-[5-Chloro-2-(1-ethyl-5,5-dimethyl-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-8-ylamino)-pyrimidin-4-ylamino]-thiophene-2-carboxylic acid methylamide
Database identifiers
- PubChem CID
- 66830278
Properties
Computed structural propertiesFilling in
- XLogP
- 5.3
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 742
Related reactions
3 records
Compound notes
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