ethyl 2-{[(4-ethylphenyl)methyl]amino}-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 2-{[(4-ethylphenyl)methyl]amino}-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
ethyl 2-{[(4-ethylphenyl)methyl]amino}-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | D043-0010 |
| Compound Name: | ethyl 2-{[(4-ethylphenyl)methyl]amino}-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 341.37 |
| Molecular Formula: | C17 H19 N5 O3 |
| Smiles: | CCc1ccc(CNc2nc3NC=C(C(n3n2)=O)C(=O)OCC)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.2585 |
| logD: | 0.3164 |
| logSw: | -2.6208 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.883 |
| InChI Key: | VNXCYAZQGUSZGC-UHFFFAOYSA-N |