2-cyclopropyl-7-{[(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-cyclopropyl-7-{[(4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
2-cyclopropyl-7-{[(4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | G072-0241 |
| Compound Name: | 2-cyclopropyl-7-{[(4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 306.36 |
| Molecular Formula: | C11 H10 N6 O S2 |
| Smiles: | C1CC1C1=NN2C(=NC(CSc3nnc[nH]3)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 0.7693 |
| logD: | 0.4148 |
| logSw: | -1.6492 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.948 |
| InChI Key: | HFWRIGHXRWYZLY-UHFFFAOYSA-N |