6-[(4-methylphenyl)methyl]-1-phenyl-4-(4-{[4-(trifluoromethyl)phenyl]methyl}-1,4-diazepan-1-yl)-1H-pyrazolo[3,4-d]pyrimidine
Chemical Structure Depiction of
6-[(4-methylphenyl)methyl]-1-phenyl-4-(4-{[4-(trifluoromethyl)phenyl]methyl}-1,4-diazepan-1-yl)-1H-pyrazolo[3,4-d]pyrimidine
6-[(4-methylphenyl)methyl]-1-phenyl-4-(4-{[4-(trifluoromethyl)phenyl]methyl}-1,4-diazepan-1-yl)-1H-pyrazolo[3,4-d]pyrimidine
Compound characteristics
| Compound ID: | V010-5213 |
| Compound Name: | 6-[(4-methylphenyl)methyl]-1-phenyl-4-(4-{[4-(trifluoromethyl)phenyl]methyl}-1,4-diazepan-1-yl)-1H-pyrazolo[3,4-d]pyrimidine |
| Molecular Weight: | 556.63 |
| Molecular Formula: | C32 H31 F3 N6 |
| Salt: | not_available |
| Smiles: | Cc1ccc(Cc2nc(c3cnn(c4ccccc4)c3n2)N2CCCN(CC2)Cc2ccc(cc2)C(F)(F)F)cc1 |
| Stereo: | ACHIRAL |
| logP: | 7.3368 |
| logD: | 6.7534 |
| logSw: | -5.8551 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 41.213 |
| InChI Key: | PCMHPBPQXXZIHL-UHFFFAOYSA-N |