ethyl 2-{[(3,4-dimethoxyphenyl)methyl]amino}-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 2-{[(3,4-dimethoxyphenyl)methyl]amino}-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
ethyl 2-{[(3,4-dimethoxyphenyl)methyl]amino}-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | D043-0018 |
| Compound Name: | ethyl 2-{[(3,4-dimethoxyphenyl)methyl]amino}-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 373.37 |
| Molecular Formula: | C17 H19 N5 O5 |
| Smiles: | CCOC(C1=CNc2nc(NCc3ccc(c(c3)OC)OC)nn2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9427 |
| logD: | -0.9994 |
| logSw: | -2.0895 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 98.144 |
| InChI Key: | SHEGTMFAQWAADN-UHFFFAOYSA-N |