methyl [(7-oxo-5-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetate
Chemical Structure Depiction of
methyl [(7-oxo-5-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetate
methyl [(7-oxo-5-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | D718-0284 |
| Compound Name: | methyl [(7-oxo-5-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetate |
| Molecular Weight: | 316.34 |
| Molecular Formula: | C14 H12 N4 O3 S |
| Smiles: | COC(CSc1nc2NC(=CC(n2n1)=O)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8122 |
| logD: | 0.6375 |
| logSw: | -2.4077 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.536 |
| InChI Key: | LGEFBAFSUZNUQI-UHFFFAOYSA-N |