methyl (7-oxo-2-{[(thiophen-2-yl)methyl]amino}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetate
Chemical Structure Depiction of
methyl (7-oxo-2-{[(thiophen-2-yl)methyl]amino}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetate
methyl (7-oxo-2-{[(thiophen-2-yl)methyl]amino}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetate
Compound characteristics
| Compound ID: | D298-0096 |
| Compound Name: | methyl (7-oxo-2-{[(thiophen-2-yl)methyl]amino}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetate |
| Molecular Weight: | 319.34 |
| Molecular Formula: | C13 H13 N5 O3 S |
| Smiles: | COC(CC1=CC(n2c(N1)nc(NCc1cccs1)n2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9324 |
| logD: | 0.5543 |
| logSw: | -2.2357 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.578 |
| InChI Key: | GLUODPMFNBNGEU-UHFFFAOYSA-N |