2-methoxy-1-{4-[6-methyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}ethan-1-one
Chemical Structure Depiction of
2-methoxy-1-{4-[6-methyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}ethan-1-one
2-methoxy-1-{4-[6-methyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | V022-2264 |
| Compound Name: | 2-methoxy-1-{4-[6-methyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}ethan-1-one |
| Molecular Weight: | 394.48 |
| Molecular Formula: | C21 H26 N6 O2 |
| Smiles: | Cc1ccc(cc1)n1c2c(cn1)c(nc(C)n2)N1CCCN(CC1)C(COC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6143 |
| logD: | 2.5728 |
| logSw: | -2.7209 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 61.19 |
| InChI Key: | MNDKROPBIZIRBF-UHFFFAOYSA-N |