6-(2-methylpropyl)-1-phenyl-4-(4-{[4-(trifluoromethyl)phenyl]methyl}-1,4-diazepan-1-yl)-1H-pyrazolo[3,4-d]pyrimidine
Chemical Structure Depiction of
6-(2-methylpropyl)-1-phenyl-4-(4-{[4-(trifluoromethyl)phenyl]methyl}-1,4-diazepan-1-yl)-1H-pyrazolo[3,4-d]pyrimidine
6-(2-methylpropyl)-1-phenyl-4-(4-{[4-(trifluoromethyl)phenyl]methyl}-1,4-diazepan-1-yl)-1H-pyrazolo[3,4-d]pyrimidine
Compound characteristics
| Compound ID: | V012-6728 |
| Compound Name: | 6-(2-methylpropyl)-1-phenyl-4-(4-{[4-(trifluoromethyl)phenyl]methyl}-1,4-diazepan-1-yl)-1H-pyrazolo[3,4-d]pyrimidine |
| Molecular Weight: | 508.59 |
| Molecular Formula: | C28 H31 F3 N6 |
| Salt: | not_available |
| Smiles: | CC(C)Cc1nc(c2cnn(c3ccccc3)c2n1)N1CCCN(CC1)Cc1ccc(cc1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 6.7246 |
| logD: | 6.1412 |
| logSw: | -5.9829 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 41.484 |
| InChI Key: | MPSUBKUJQXIHCT-UHFFFAOYSA-N |