methyl [(7-oxo-5-{[(pyrimidin-2-yl)sulfanyl]methyl}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetate
Chemical Structure Depiction of
methyl [(7-oxo-5-{[(pyrimidin-2-yl)sulfanyl]methyl}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetate
methyl [(7-oxo-5-{[(pyrimidin-2-yl)sulfanyl]methyl}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | D718-0596 |
| Compound Name: | methyl [(7-oxo-5-{[(pyrimidin-2-yl)sulfanyl]methyl}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetate |
| Molecular Weight: | 364.4 |
| Molecular Formula: | C13 H12 N6 O3 S2 |
| Smiles: | COC(CSc1nc2NC(CSc3ncccn3)=CC(n2n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.6712 |
| logD: | -0.0529 |
| logSw: | -2.2073 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.799 |
| InChI Key: | KRWYSAXYGCESNX-UHFFFAOYSA-N |