(3,5-dimethoxyphenyl){4-[3-methyl-6-(2-methylpropyl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}methanone
Chemical Structure Depiction of
(3,5-dimethoxyphenyl){4-[3-methyl-6-(2-methylpropyl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}methanone
(3,5-dimethoxyphenyl){4-[3-methyl-6-(2-methylpropyl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}methanone
Compound characteristics
| Compound ID: | V031-0252 |
| Compound Name: | (3,5-dimethoxyphenyl){4-[3-methyl-6-(2-methylpropyl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}methanone |
| Molecular Weight: | 528.65 |
| Molecular Formula: | C30 H36 N6 O3 |
| Salt: | not_available |
| Smiles: | CC(C)Cc1nc(c2c(C)nn(c3ccccc3)c2n1)N1CCCN(CC1)C(c1cc(cc(c1)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3159 |
| logD: | 4.7971 |
| logSw: | -5.4307 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 69.84 |
| InChI Key: | GUQYIJPDVKIDFY-UHFFFAOYSA-N |