2-ethyl-7-({[5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
2-ethyl-7-({[5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
2-ethyl-7-({[5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | G072-0116 |
| Compound Name: | 2-ethyl-7-({[5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 384.48 |
| Molecular Formula: | C17 H16 N6 O S2 |
| Smiles: | CCC1=NN2C(=NC(CSc3nnc(c4ccc(C)cc4)[nH]3)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.065 |
| logD: | 1.8885 |
| logSw: | -3.2497 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.681 |
| InChI Key: | ZOOKNBMWIACGTB-UHFFFAOYSA-N |