{4-[6-(methoxymethyl)-3-methyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}[4-(trifluoromethyl)phenyl]methanone
Chemical Structure Depiction of
{4-[6-(methoxymethyl)-3-methyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}[4-(trifluoromethyl)phenyl]methanone
{4-[6-(methoxymethyl)-3-methyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}[4-(trifluoromethyl)phenyl]methanone
Compound characteristics
| Compound ID: | V027-6354 |
| Compound Name: | {4-[6-(methoxymethyl)-3-methyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}[4-(trifluoromethyl)phenyl]methanone |
| Molecular Weight: | 538.57 |
| Molecular Formula: | C28 H29 F3 N6 O2 |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)n1c2c(c(C)n1)c(nc(COC)n2)N1CCCN(CC1)C(c1ccc(cc1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8614 |
| logD: | 4.622 |
| logSw: | -4.8649 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 63.177 |
| InChI Key: | CEZNNAQZFLUWOZ-UHFFFAOYSA-N |