7-{[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-2-(2-methylpropyl)-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-(2-methylpropyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
7-{[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-2-(2-methylpropyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | G072-0171 |
| Compound Name: | 7-{[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-2-(2-methylpropyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 337.42 |
| Molecular Formula: | C12 H15 N7 O S2 |
| Smiles: | CC(C)CC1=NN2C(=NC(CSc3nnc(N)[nH]3)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 0.9446 |
| logD: | 0.8153 |
| logSw: | -1.781 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 91.419 |
| InChI Key: | FVMBVUPPZRGVJL-UHFFFAOYSA-N |