1-(4-{3-methyl-6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)-2-(phenylsulfanyl)ethan-1-one
Chemical Structure Depiction of
1-(4-{3-methyl-6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)-2-(phenylsulfanyl)ethan-1-one
1-(4-{3-methyl-6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)-2-(phenylsulfanyl)ethan-1-one
Compound characteristics
| Compound ID: | V015-7959 |
| Compound Name: | 1-(4-{3-methyl-6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)-2-(phenylsulfanyl)ethan-1-one |
| Molecular Weight: | 562.74 |
| Molecular Formula: | C33 H34 N6 O S |
| Salt: | not_available |
| Smiles: | Cc1ccc(Cc2nc(c3c(C)nn(c4ccccc4)c3n2)N2CCCN(CC2)C(CSc2ccccc2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.2113 |
| logD: | 6.1096 |
| logSw: | -5.7642 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 53.954 |
| InChI Key: | BEXQJUAIAWTZFY-UHFFFAOYSA-N |