5-({[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-2-methyl-7H-[1,2]oxazolo[2,3-a]pyrimidin-7-one
Chemical Structure Depiction of
5-({[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-2-methyl-7H-[1,2]oxazolo[2,3-a]pyrimidin-7-one
5-({[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-2-methyl-7H-[1,2]oxazolo[2,3-a]pyrimidin-7-one
Compound characteristics
| Compound ID: | G072-1021 |
| Compound Name: | 5-({[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-2-methyl-7H-[1,2]oxazolo[2,3-a]pyrimidin-7-one |
| Molecular Weight: | 369.4 |
| Molecular Formula: | C17 H15 N5 O3 S |
| Smiles: | CC1=CC2=NC(CSc3nnc(c4ccc(cc4)OC)[nH]3)=CC(N2O1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5152 |
| logD: | 0.3235 |
| logSw: | -2.2519 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.481 |
| InChI Key: | CNWKJAQRWMRCEP-UHFFFAOYSA-N |