{4-[1-(2-chlorophenyl)-3,6-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}[4-(trifluoromethyl)phenyl]methanone
Chemical Structure Depiction of
{4-[1-(2-chlorophenyl)-3,6-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}[4-(trifluoromethyl)phenyl]methanone
{4-[1-(2-chlorophenyl)-3,6-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}[4-(trifluoromethyl)phenyl]methanone
Compound characteristics
| Compound ID: | V001-4145 |
| Compound Name: | {4-[1-(2-chlorophenyl)-3,6-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}[4-(trifluoromethyl)phenyl]methanone |
| Molecular Weight: | 528.96 |
| Molecular Formula: | C26 H24 Cl F3 N6 O |
| Salt: | not_available |
| Smiles: | Cc1c2c(nc(C)nc2n(c2ccccc2[Cl])n1)N1CCCN(CC1)C(c1ccc(cc1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.11 |
| logD: | 4.7905 |
| logSw: | -5.5257 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 53.074 |
| InChI Key: | IEWXPQOTXSYPPO-UHFFFAOYSA-N |