ethyl 3-(2-{[(3,4-dimethoxyphenyl)methyl]amino}-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoate
Chemical Structure Depiction of
ethyl 3-(2-{[(3,4-dimethoxyphenyl)methyl]amino}-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoate
ethyl 3-(2-{[(3,4-dimethoxyphenyl)methyl]amino}-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoate
Compound characteristics
| Compound ID: | D298-0227 |
| Compound Name: | ethyl 3-(2-{[(3,4-dimethoxyphenyl)methyl]amino}-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoate |
| Molecular Weight: | 415.45 |
| Molecular Formula: | C20 H25 N5 O5 |
| Smiles: | CCOC(CCC1=C(C)Nc2nc(NCc3ccc(c(c3)OC)OC)nn2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8577 |
| logD: | 1.8145 |
| logSw: | -2.4701 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.312 |
| InChI Key: | BMLISMLLKSIOMO-UHFFFAOYSA-N |