{4-[6-(cyclohexylmethyl)-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(4-ethylphenyl)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-ethylphenyl)methanone
{4-[6-(cyclohexylmethyl)-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(4-ethylphenyl)methanone
Compound characteristics
| Compound ID: | V030-5086 |
| Compound Name: | {4-[6-(cyclohexylmethyl)-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(4-ethylphenyl)methanone |
| Molecular Weight: | 554.71 |
| Molecular Formula: | C33 H39 F N6 O |
| Salt: | not_available |
| Smiles: | CCc1ccc(cc1)C(N1CCCN(CC1)c1c2c(C)nn(c3ccc(cc3)F)c2nc(CC2CCCCC2)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 7.2552 |
| logD: | 6.5647 |
| logSw: | -5.9273 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 54.673 |
| InChI Key: | NCTYOKKNLLKSRO-UHFFFAOYSA-N |