{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 |