Basic information
- Standard SMILES
CC(C)N1CCC(=O)N(C)c2cnc(Nc3ccc(C(=O)NCCN4CCOCC4)cc3)nc21- InChIKey
XAOOBZVACPQBQM-UHFFFAOYSA-N- Molecular formula
- C24H33N7O3
- Average molar mass
- 467.6 g/mol
- Monoisotopic mass
- 467.26448794
Names & identifiers
- Preferred name
- 4-[(2-methyl-3-oxo-6-propan-2-yl-2,6,8,10-tetrazabicyclo[5.4.0]undeca-7,9,11-trien-9-yl)amino]-N-(2-morpholin-4-ylethyl)benzamide
- IUPAC
- 4-[(5-methyl-6-oxo-9-propan-2-yl-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl)amino]-N-(2-morpholin-4-ylethyl)benzamide
Names & synonyms
SCHEMBL3545085XAOOBZVACPQBQM-UHFFFAOYSA-N4-[(2-methyl-3-oxo-6-propan-2-yl-2,6,8,10-tetrazabicyclo[5.4.0]undeca-7,9,11-trien-9-yl)amino]-N-(2-morpholin-4-ylethyl)benzamide
Database identifiers
- PubChem CID
- 68684307
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 679
Related reactions
2 records
Compound notes
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