1-(3-chlorophenyl)-6-(3-methylbutyl)-4-[4-(phenylmethanesulfonyl)-1,4-diazepan-1-yl]-1H-pyrazolo[3,4-d]pyrimidine
Chemical Structure Depiction of
1-(3-chlorophenyl)-6-(3-methylbutyl)-4-[4-(phenylmethanesulfonyl)-1,4-diazepan-1-yl]-1H-pyrazolo[3,4-d]pyrimidine
1-(3-chlorophenyl)-6-(3-methylbutyl)-4-[4-(phenylmethanesulfonyl)-1,4-diazepan-1-yl]-1H-pyrazolo[3,4-d]pyrimidine
Compound characteristics
| Compound ID: | V013-8015 |
| Compound Name: | 1-(3-chlorophenyl)-6-(3-methylbutyl)-4-[4-(phenylmethanesulfonyl)-1,4-diazepan-1-yl]-1H-pyrazolo[3,4-d]pyrimidine |
| Molecular Weight: | 553.13 |
| Molecular Formula: | C28 H33 Cl N6 O2 S |
| Salt: | not_available |
| Smiles: | CC(C)CCc1nc(c2cnn(c3cccc(c3)[Cl])c2n1)N1CCCN(CC1)S(Cc1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.3162 |
| logD: | 6.1931 |
| logSw: | -6.1742 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 69.357 |
| InChI Key: | RKQLEYKJEABXFB-UHFFFAOYSA-N |