N-{2-[3-(3-chlorobenzene-1-sulfonyl)-5,7-dimethyl-2-(methylsulfanyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethyl}acetamide
Chemical Structure Depiction of
N-{2-[3-(3-chlorobenzene-1-sulfonyl)-5,7-dimethyl-2-(methylsulfanyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethyl}acetamide
N-{2-[3-(3-chlorobenzene-1-sulfonyl)-5,7-dimethyl-2-(methylsulfanyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethyl}acetamide
Compound characteristics
| Compound ID: | H025-3293 |
| Compound Name: | N-{2-[3-(3-chlorobenzene-1-sulfonyl)-5,7-dimethyl-2-(methylsulfanyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethyl}acetamide |
| Molecular Weight: | 452.98 |
| Molecular Formula: | C19 H21 Cl N4 O3 S2 |
| Smiles: | CC(NCCc1c(C)nc2c(c(nn2c1C)SC)S(c1cccc(c1)[Cl])(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1795 |
| logD: | 2.1795 |
| logSw: | -3.3016 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.597 |
| InChI Key: | QQSZOFZIPYQVIU-UHFFFAOYSA-N |