(4-chlorophenyl){4-[3,6-dimethyl-1-(2-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}methanone
Chemical Structure Depiction of
(4-chlorophenyl){4-[3,6-dimethyl-1-(2-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}methanone
(4-chlorophenyl){4-[3,6-dimethyl-1-(2-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}methanone
Compound characteristics
| Compound ID: | V026-1634 |
| Compound Name: | (4-chlorophenyl){4-[3,6-dimethyl-1-(2-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}methanone |
| Molecular Weight: | 474.99 |
| Molecular Formula: | C26 H27 Cl N6 O |
| Salt: | not_available |
| Smiles: | Cc1ccccc1n1c2c(c(C)n1)c(nc(C)n2)N1CCCN(CC1)C(c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.8003 |
| logD: | 4.1878 |
| logSw: | -4.9606 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 53.074 |
| InChI Key: | IGIKWCCHLJLKLA-UHFFFAOYSA-N |