N-(4-chlorophenyl)-4-{3-methyl-6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepane-1-carboxamide
Chemical Structure Depiction of
N-(4-chlorophenyl)-4-{3-methyl-6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepane-1-carboxamide
N-(4-chlorophenyl)-4-{3-methyl-6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepane-1-carboxamide
Compound characteristics
| Compound ID: | V006-2965 |
| Compound Name: | N-(4-chlorophenyl)-4-{3-methyl-6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepane-1-carboxamide |
| Molecular Weight: | 566.11 |
| Molecular Formula: | C32 H32 Cl N7 O |
| Salt: | not_available |
| Smiles: | Cc1ccc(Cc2nc(c3c(C)nn(c4ccccc4)c3n2)N2CCCN(CC2)C(Nc2ccc(cc2)[Cl])=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.6834 |
| logD: | 6.5817 |
| logSw: | -6.3257 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.302 |
| InChI Key: | LSFCISFAKHDZIX-UHFFFAOYSA-N |