1-[3-(3-chloro-4-fluorobenzene-1-sulfonyl)-5,7-dimethyl-2-(methylsulfanyl)pyrazolo[1,5-a]pyrimidin-6-yl]-N,N-dimethylmethanamine--hydrogen chloride (1/1)
Chemical Structure Depiction of
1-[3-(3-chloro-4-fluorobenzene-1-sulfonyl)-5,7-dimethyl-2-(methylsulfanyl)pyrazolo[1,5-a]pyrimidin-6-yl]-N,N-dimethylmethanamine--hydrogen chloride (1/1)
1-[3-(3-chloro-4-fluorobenzene-1-sulfonyl)-5,7-dimethyl-2-(methylsulfanyl)pyrazolo[1,5-a]pyrimidin-6-yl]-N,N-dimethylmethanamine--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | H025-3091C |
| Compound Name: | 1-[3-(3-chloro-4-fluorobenzene-1-sulfonyl)-5,7-dimethyl-2-(methylsulfanyl)pyrazolo[1,5-a]pyrimidin-6-yl]-N,N-dimethylmethanamine--hydrogen chloride (1/1) |
| Molecular Weight: | 479.42 |
| Molecular Formula: | C18 H20 Cl F N4 O2 S2 |
| Salt: | HCl |
| Smiles: | Cc1c(CN(C)C)c(C)n2c(c(c(n2)SC)S(c2ccc(c(c2)[Cl])F)(=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.6846 |
| logD: | 1.6248 |
| logSw: | -3.3814 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 54.058 |
| InChI Key: | QLJIGNSOCPPHDT-UHFFFAOYSA-N |