7-({[5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
7-({[5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
7-({[5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | G072-0074 |
| Compound Name: | 7-({[5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 414.51 |
| Molecular Formula: | C18 H18 N6 O2 S2 |
| Smiles: | CC(C)C1=NN2C(=NC(CSc3nnc(c4ccccc4OC)[nH]3)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 2.6526 |
| logD: | 1.6006 |
| logSw: | -3.2834 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.408 |
| InChI Key: | JRQJAPRWNJASIP-UHFFFAOYSA-N |