1-{4-[6-ethyl-3-methyl-1-(2-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}propan-1-one
Chemical Structure Depiction of
1-{4-[6-ethyl-3-methyl-1-(2-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}propan-1-one
1-{4-[6-ethyl-3-methyl-1-(2-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}propan-1-one
Compound characteristics
| Compound ID: | V024-7618 |
| Compound Name: | 1-{4-[6-ethyl-3-methyl-1-(2-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}propan-1-one |
| Molecular Weight: | 406.53 |
| Molecular Formula: | C23 H30 N6 O |
| Salt: | not_available |
| Smiles: | CCC(N1CCCN(CC1)c1c2c(C)nn(c3ccccc3C)c2nc(CC)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9337 |
| logD: | 3.2422 |
| logSw: | -4.1213 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 54.196 |
| InChI Key: | MXHFSEXQXISGCD-UHFFFAOYSA-N |