Basic information
- Standard SMILES
COc1cc(C(=O)NCCCN2CCOCC2)ccc1Nc1ncc2c(n1)N(C1CCCC1)CC(F)(F)C(=O)N2C- InChIKey
IYEVKFRISSVCQZ-UHFFFAOYSA-N- Molecular formula
- C28H37F2N7O4
- Average molar mass
- 573.6 g/mol
Names & identifiers
- Preferred name
- 4-(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-ylamino)-3-methoxy-N-(3-morpholin-4-yl-propyl)-benzamide
- IUPAC
- 4-[(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-8H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-(3-morpholin-4-ylpropyl)benzamide
Names & synonyms
4-(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-ylamino)-3-methoxy-N-(3-morpholin-4-yl-propyl)-benzamideSCHEMBL1560374
Database identifiers
- PubChem CID
- 44548924
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 9
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 890
Related reactions
2 records
Compound notes
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