cyclopropyl{4-[3,6-dimethyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}methanone
Chemical Structure Depiction of
cyclopropyl{4-[3,6-dimethyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}methanone
cyclopropyl{4-[3,6-dimethyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}methanone
Compound characteristics
| Compound ID: | V025-0672 |
| Compound Name: | cyclopropyl{4-[3,6-dimethyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}methanone |
| Molecular Weight: | 404.51 |
| Molecular Formula: | C23 H28 N6 O |
| Smiles: | Cc1ccc(cc1)n1c2c(c(C)n1)c(nc(C)n2)N1CCCN(CC1)C(C1CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6845 |
| logD: | 3.365 |
| logSw: | -4.0394 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 53.898 |
| InChI Key: | BWQCYELCCQBDTI-UHFFFAOYSA-N |