methyl N-{3-[2-(benzylamino)-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoyl}glycinate
Chemical Structure Depiction of
methyl N-{3-[2-(benzylamino)-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoyl}glycinate
methyl N-{3-[2-(benzylamino)-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoyl}glycinate
Compound characteristics
| Compound ID: | D481-0044 |
| Compound Name: | methyl N-{3-[2-(benzylamino)-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoyl}glycinate |
| Molecular Weight: | 398.42 |
| Molecular Formula: | C19 H22 N6 O4 |
| Smiles: | CC1=C(CCC(NCC(=O)OC)=O)C(n2c(N1)nc(NCc1ccccc1)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 0.7514 |
| logD: | 0.7082 |
| logSw: | -1.6801 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 106.942 |
| InChI Key: | PNHGNDYGMPUZFE-UHFFFAOYSA-N |