Basic information
- Standard SMILES
COc1cc(C(=O)Nc2ccc(N3CCN(C)CC3)c(F)c2)c(F)cc1Nc1ncc2c(n1)N(C1CCCC1)CC(F)(F)C(=O)N2C- InChIKey
MSQROIHOTJJFMO-UHFFFAOYSA-N- Molecular formula
- C32H36F4N8O3
- Average molar mass
- 656.7 g/mol
Names & identifiers
- Preferred name
- 4-(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[5,4-b][1,4]diazepin-2-ylamino)-2-fluoro-N-(3-fluoro-4-(4-methylpiperazin-1-yl)phenyl)-5-methoxybenzamide
- IUPAC
- 4-[(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-8H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-2-fluoro-N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-5-methoxybenzamide
Names & synonyms
4-(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[5,4-b][1,4]diazepin-2-ylamino)-2-fluoro-N-(3-fluoro-4-(4-methylpiperazin-1-yl)phenyl)-5-methoxybenzamideSCHEMBL1675709
Database identifiers
- PubChem CID
- 57955609
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 7
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 1,100
Related reactions
3 records
Compound notes
Loading…