2-[3-(3-chlorobenzene-1-sulfonyl)-5,7-dimethyl-2-(methylsulfanyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethan-1-amine--hydrogen chloride (1/1)
Chemical Structure Depiction of
2-[3-(3-chlorobenzene-1-sulfonyl)-5,7-dimethyl-2-(methylsulfanyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethan-1-amine--hydrogen chloride (1/1)
2-[3-(3-chlorobenzene-1-sulfonyl)-5,7-dimethyl-2-(methylsulfanyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethan-1-amine--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | H025-3096C |
| Compound Name: | 2-[3-(3-chlorobenzene-1-sulfonyl)-5,7-dimethyl-2-(methylsulfanyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethan-1-amine--hydrogen chloride (1/1) |
| Molecular Weight: | 447.4 |
| Molecular Formula: | C17 H19 Cl N4 O2 S2 |
| Salt: | HCl |
| Smiles: | Cc1c(CCN)c(C)n2c(c(c(n2)SC)S(c2cccc(c2)[Cl])(=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.2281 |
| logD: | 0.4042 |
| logSw: | -3.1172 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.327 |
| InChI Key: | OKRBPVXMGNCRTQ-UHFFFAOYSA-N |