{4-[6-(cyclohexylmethyl)-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(4-methylphenyl)methanone
Chemical Structure Depiction of
{4-[6-(cyclohexylmethyl)-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(4-methylphenyl)methanone
{4-[6-(cyclohexylmethyl)-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(4-methylphenyl)methanone
Compound characteristics
| Compound ID: | V021-7371 |
| Compound Name: | {4-[6-(cyclohexylmethyl)-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(4-methylphenyl)methanone |
| Molecular Weight: | 540.68 |
| Molecular Formula: | C32 H37 F N6 O |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)C(N1CCCN(CC1)c1c2c(C)nn(c3ccc(cc3)F)c2nc(CC2CCCCC2)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.7479 |
| logD: | 6.0574 |
| logSw: | -5.9169 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 54.673 |
| InChI Key: | NTBPHJIPBDRFNX-UHFFFAOYSA-N |