(2H-1,3-benzodioxol-5-yl){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
(2H-1,3-benzodioxol-5-yl){4-[3,6-dimethyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}methanone
(2H-1,3-benzodioxol-5-yl){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: | V025-7754 |
| Compound Name: | (2H-1,3-benzodioxol-5-yl){4-[3,6-dimethyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}methanone |
| Molecular Weight: | 484.56 |
| Molecular Formula: | C27 H28 N6 O3 |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)n1c2c(c(C)n1)c(nc(C)n2)N1CCCN(CC1)C(c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0826 |
| logD: | 3.7631 |
| logSw: | -4.4156 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 70.491 |
| InChI Key: | IXNKWYPLIMOUFG-UHFFFAOYSA-N |