3-[3-(benzenesulfonyl)-5,7-dimethyl-2-(methylamino)pyrazolo[1,5-a]pyrimidin-6-yl]-1-(4-methylpiperazin-1-yl)propan-1-one--hydrogen chloride (1/1)
Chemical Structure Depiction of
3-[3-(benzenesulfonyl)-5,7-dimethyl-2-(methylamino)pyrazolo[1,5-a]pyrimidin-6-yl]-1-(4-methylpiperazin-1-yl)propan-1-one--hydrogen chloride (1/1)
3-[3-(benzenesulfonyl)-5,7-dimethyl-2-(methylamino)pyrazolo[1,5-a]pyrimidin-6-yl]-1-(4-methylpiperazin-1-yl)propan-1-one--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | H025-3021C |
| Compound Name: | 3-[3-(benzenesulfonyl)-5,7-dimethyl-2-(methylamino)pyrazolo[1,5-a]pyrimidin-6-yl]-1-(4-methylpiperazin-1-yl)propan-1-one--hydrogen chloride (1/1) |
| Molecular Weight: | 507.05 |
| Molecular Formula: | C23 H30 N6 O3 S |
| Salt: | HCl |
| Smiles: | Cc1c(CCC(N2CCN(C)CC2)=O)c(C)n2c(c(c(NC)n2)S(c2ccccc2)(=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 0.9974 |
| logD: | 0.7505 |
| logSw: | -2.2666 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.934 |
| InChI Key: | VPQBBCSZQUYDLV-UHFFFAOYSA-N |