ethyl 3-{3-[2-(aminomethyl)-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamido}benzoate--hydrogen chloride (1/1)
Chemical Structure Depiction of
ethyl 3-{3-[2-(aminomethyl)-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamido}benzoate--hydrogen chloride (1/1)
ethyl 3-{3-[2-(aminomethyl)-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamido}benzoate--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | C908-0432 |
| Compound Name: | ethyl 3-{3-[2-(aminomethyl)-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamido}benzoate--hydrogen chloride (1/1) |
| Molecular Weight: | 432.91 |
| Molecular Formula: | C20 H24 N6 O3 |
| Salt: | HCl |
| Smiles: | CCOC(c1cccc(c1)NC(CCc1c(C)nc2nc(CN)nn2c1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1924 |
| logD: | -0.4852 |
| logSw: | -2.1249 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 97.658 |
| InChI Key: | AZCWUMZEDOGTED-UHFFFAOYSA-N |