4-[4-(4-methoxybenzene-1-sulfonyl)-1,4-diazepan-1-yl]-3-methyl-6-(2-methylpropyl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine
Chemical Structure Depiction of
4-[4-(4-methoxybenzene-1-sulfonyl)-1,4-diazepan-1-yl]-3-methyl-6-(2-methylpropyl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine
4-[4-(4-methoxybenzene-1-sulfonyl)-1,4-diazepan-1-yl]-3-methyl-6-(2-methylpropyl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine
Compound characteristics
| Compound ID: | V011-1830 |
| Compound Name: | 4-[4-(4-methoxybenzene-1-sulfonyl)-1,4-diazepan-1-yl]-3-methyl-6-(2-methylpropyl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine |
| Molecular Weight: | 534.68 |
| Molecular Formula: | C28 H34 N6 O3 S |
| Salt: | not_available |
| Smiles: | CC(C)Cc1nc(c2c(C)nn(c3ccccc3)c2n1)N1CCCN(CC1)S(c1ccc(cc1)OC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3269 |
| logD: | 4.8081 |
| logSw: | -5.4334 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 77.359 |
| InChI Key: | ADFYEEFFEISMPF-UHFFFAOYSA-N |