methyl [2-(benzylamino)-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetate
Chemical Structure Depiction of
methyl [2-(benzylamino)-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetate
methyl [2-(benzylamino)-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetate
Compound characteristics
| Compound ID: | D043-0283 |
| Compound Name: | methyl [2-(benzylamino)-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetate |
| Molecular Weight: | 327.34 |
| Molecular Formula: | C16 H17 N5 O3 |
| Smiles: | CC1=C(CC(=O)OC)C(n2c(N1)nc(NCc1ccccc1)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3545 |
| logD: | 1.3354 |
| logSw: | -1.6631 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.471 |
| InChI Key: | GPTZDGQPIOERSV-UHFFFAOYSA-N |