ethyl 4-{3-[2-(3,5-dimethoxyphenyl)-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamido}benzoate
Chemical Structure Depiction of
ethyl 4-{3-[2-(3,5-dimethoxyphenyl)-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamido}benzoate
ethyl 4-{3-[2-(3,5-dimethoxyphenyl)-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamido}benzoate
Compound characteristics
| Compound ID: | C561-1783 |
| Compound Name: | ethyl 4-{3-[2-(3,5-dimethoxyphenyl)-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamido}benzoate |
| Molecular Weight: | 503.56 |
| Molecular Formula: | C27 H29 N5 O5 |
| Smiles: | CCOC(c1ccc(cc1)NC(CCc1c(C)nc2nc(c3cc(cc(c3)OC)OC)nn2c1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3245 |
| logD: | 4.1932 |
| logSw: | -4.3447 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.824 |
| InChI Key: | MCVJUORKBMEKHB-UHFFFAOYSA-N |