4-[3-(benzenesulfonyl)-5-methyl-2-(methylsulfanyl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-N-(2,4,4-trimethylpentan-2-yl)-3,4,5,6-tetrahydropyrazin-2-amine--hydrogen chloride (1/1)
Chemical Structure Depiction of
4-[3-(benzenesulfonyl)-5-methyl-2-(methylsulfanyl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-N-(2,4,4-trimethylpentan-2-yl)-3,4,5,6-tetrahydropyrazin-2-amine--hydrogen chloride (1/1)
4-[3-(benzenesulfonyl)-5-methyl-2-(methylsulfanyl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-N-(2,4,4-trimethylpentan-2-yl)-3,4,5,6-tetrahydropyrazin-2-amine--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | H025-0711C |
| Compound Name: | 4-[3-(benzenesulfonyl)-5-methyl-2-(methylsulfanyl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-N-(2,4,4-trimethylpentan-2-yl)-3,4,5,6-tetrahydropyrazin-2-amine--hydrogen chloride (1/1) |
| Molecular Weight: | 579.23 |
| Molecular Formula: | C27 H38 N6 O2 S2 |
| Salt: | HCl |
| Smiles: | CC1C(NC(C)(C)CC(C)(C)C)=NCCN1c1cc(C)nc2c(c(nn12)SC)S(c1ccccc1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6555 |
| logD: | 2.6441 |
| logSw: | -5.5211 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.994 |
| InChI Key: | VRDQLSLUILGUTR-IBGZPJMESA-N |