2-methyl-5-{[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-7H-[1,2]oxazolo[2,3-a]pyrimidin-7-one
Chemical Structure Depiction of
2-methyl-5-{[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-7H-[1,2]oxazolo[2,3-a]pyrimidin-7-one
2-methyl-5-{[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-7H-[1,2]oxazolo[2,3-a]pyrimidin-7-one
Compound characteristics
| Compound ID: | G072-1026 |
| Compound Name: | 2-methyl-5-{[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-7H-[1,2]oxazolo[2,3-a]pyrimidin-7-one |
| Molecular Weight: | 277.3 |
| Molecular Formula: | C11 H11 N5 O2 S |
| Smiles: | CC1=CC2=NC(CSc3nnc(C)[nH]3)=CC(N2O1)=O |
| Stereo: | ACHIRAL |
| logP: | -0.2383 |
| logD: | -0.6575 |
| logSw: | -1.5117 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.822 |
| InChI Key: | ZHWFUIMORHMRJX-UHFFFAOYSA-N |