3-[2-(aminomethyl)-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(4-bromo-3-methylphenyl)propanamide--hydrogen chloride (1/1)
Chemical Structure Depiction of
3-[2-(aminomethyl)-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(4-bromo-3-methylphenyl)propanamide--hydrogen chloride (1/1)
3-[2-(aminomethyl)-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(4-bromo-3-methylphenyl)propanamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | C908-0502 |
| Compound Name: | 3-[2-(aminomethyl)-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(4-bromo-3-methylphenyl)propanamide--hydrogen chloride (1/1) |
| Molecular Weight: | 453.77 |
| Molecular Formula: | C18 H21 Br N6 O |
| Salt: | HCl |
| Smiles: | Cc1cc(ccc1[Br])NC(CCc1c(C)nc2nc(CN)nn2c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 1.585 |
| logD: | -0.0926 |
| logSw: | -2.1983 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 76.905 |
| InChI Key: | MSUNOJKSZXCRSA-UHFFFAOYSA-N |