1-[3-(3-chloro-4-fluorobenzene-1-sulfonyl)-5-methyl-2-(methylsulfanyl)pyrazolo[1,5-a]pyrimidin-7-yl]methanamine--hydrogen chloride (1/1)
Chemical Structure Depiction of
1-[3-(3-chloro-4-fluorobenzene-1-sulfonyl)-5-methyl-2-(methylsulfanyl)pyrazolo[1,5-a]pyrimidin-7-yl]methanamine--hydrogen chloride (1/1)
1-[3-(3-chloro-4-fluorobenzene-1-sulfonyl)-5-methyl-2-(methylsulfanyl)pyrazolo[1,5-a]pyrimidin-7-yl]methanamine--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | H025-3116C |
| Compound Name: | 1-[3-(3-chloro-4-fluorobenzene-1-sulfonyl)-5-methyl-2-(methylsulfanyl)pyrazolo[1,5-a]pyrimidin-7-yl]methanamine--hydrogen chloride (1/1) |
| Molecular Weight: | 437.34 |
| Molecular Formula: | C15 H14 Cl F N4 O2 S2 |
| Salt: | HCl |
| Smiles: | Cc1cc(CN)n2c(c(c(n2)SC)S(c2ccc(c(c2)[Cl])F)(=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 1.4754 |
| logD: | 0.6086 |
| logSw: | -2.7001 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.795 |
| InChI Key: | VNTAQKCMSFJXFO-UHFFFAOYSA-N |