2-(4-chlorophenoxy)-1-(4-{6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)ethan-1-one
Chemical Structure Depiction of
2-(4-chlorophenoxy)-1-(4-{6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)ethan-1-one
2-(4-chlorophenoxy)-1-(4-{6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | V004-1767 |
| Compound Name: | 2-(4-chlorophenoxy)-1-(4-{6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)ethan-1-one |
| Molecular Weight: | 567.09 |
| Molecular Formula: | C32 H31 Cl N6 O2 |
| Salt: | not_available |
| Smiles: | Cc1ccc(Cc2nc(c3cnn(c4ccccc4)c3n2)N2CCCN(CC2)C(COc2ccc(cc2)[Cl])=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.309 |
| logD: | 6.2986 |
| logSw: | -6.1437 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 61.1 |
| InChI Key: | KCNKZKAARBGBPD-UHFFFAOYSA-N |