4-[4-(4-methoxybenzene-1-sulfonyl)-1,4-diazepan-1-yl]-3-methyl-1-phenyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidine
Chemical Structure Depiction of
4-[4-(4-methoxybenzene-1-sulfonyl)-1,4-diazepan-1-yl]-3-methyl-1-phenyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidine
4-[4-(4-methoxybenzene-1-sulfonyl)-1,4-diazepan-1-yl]-3-methyl-1-phenyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidine
Compound characteristics
| Compound ID: | V027-0703 |
| Compound Name: | 4-[4-(4-methoxybenzene-1-sulfonyl)-1,4-diazepan-1-yl]-3-methyl-1-phenyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidine |
| Molecular Weight: | 520.65 |
| Molecular Formula: | C27 H32 N6 O3 S |
| Salt: | not_available |
| Smiles: | CCCc1nc(c2c(C)nn(c3ccccc3)c2n1)N1CCCN(CC1)S(c1ccc(cc1)OC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.024 |
| logD: | 4.5802 |
| logSw: | -4.8422 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 77.359 |
| InChI Key: | LCSIUEZMRLLUMV-UHFFFAOYSA-N |