methyl [2-(benzylamino)-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]acetate
Chemical Structure Depiction of
methyl [2-(benzylamino)-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]acetate
methyl [2-(benzylamino)-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]acetate
Compound characteristics
| Compound ID: | D298-0001 |
| Compound Name: | methyl [2-(benzylamino)-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]acetate |
| Molecular Weight: | 313.31 |
| Molecular Formula: | C15 H15 N5 O3 |
| Smiles: | COC(CC1=CC(n2c(N1)nc(NCc1ccccc1)n2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9574 |
| logD: | 0.5792 |
| logSw: | -1.7432 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.56 |
| InChI Key: | QPMOIDLNHWUMEJ-UHFFFAOYSA-N |