7-{[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-2-cyclopropyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
7-{[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-2-cyclopropyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
7-{[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-2-cyclopropyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | G072-0257 |
| Compound Name: | 7-{[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-2-cyclopropyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 321.38 |
| Molecular Formula: | C11 H11 N7 O S2 |
| Smiles: | C1CC1C1=NN2C(=NC(CSc3nnc(N)[nH]3)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 0.3481 |
| logD: | 0.2166 |
| logSw: | -1.6203 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 91.767 |
| InChI Key: | BUGUAAXXRMBXBL-UHFFFAOYSA-N |