6-butyl-3-methyl-4-[4-(4-methylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine
Chemical Structure Depiction of
6-butyl-3-methyl-4-[4-(4-methylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine
6-butyl-3-methyl-4-[4-(4-methylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine
Compound characteristics
| Compound ID: | V005-5898 |
| Compound Name: | 6-butyl-3-methyl-4-[4-(4-methylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine |
| Molecular Weight: | 518.68 |
| Molecular Formula: | C28 H34 N6 O2 S |
| Salt: | not_available |
| Smiles: | CCCCc1nc(c2c(C)nn(c3ccccc3)c2n1)N1CCCN(CC1)S(c1ccc(C)cc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8542 |
| logD: | 5.3085 |
| logSw: | -5.7447 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 69.815 |
| InChI Key: | MJPINMXYTZZSIV-UHFFFAOYSA-N |