2-chloro-1-(4-{6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)-2-phenylethan-1-one
Chemical Structure Depiction of
2-chloro-1-(4-{6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)-2-phenylethan-1-one
2-chloro-1-(4-{6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)-2-phenylethan-1-one
Compound characteristics
| Compound ID: | V012-0362 |
| Compound Name: | 2-chloro-1-(4-{6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)-2-phenylethan-1-one |
| Molecular Weight: | 551.09 |
| Molecular Formula: | C32 H31 Cl N6 O |
| Salt: | not_available |
| Smiles: | Cc1ccc(Cc2nc(c3cnn(c4ccccc4)c3n2)N2CCCN(CC2)C(C(c2ccccc2)[Cl])=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.7306 |
| logD: | 6.7202 |
| logSw: | -5.8278 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 54.128 |
| InChI Key: | ZQGLRCBVVNIPOS-GDLZYMKVSA-N |