2-butyl-7-{[(5-phenyl-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-butyl-7-{[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
2-butyl-7-{[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | G072-0199 |
| Compound Name: | 2-butyl-7-{[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 398.51 |
| Molecular Formula: | C18 H18 N6 O S2 |
| Smiles: | CCCCC1=NN2C(=NC(CSc3nnc(c4ccccc4)[nH]3)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.5129 |
| logD: | 2.3212 |
| logSw: | -3.6952 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.681 |
| InChI Key: | JQTSEGWIEGUXMA-UHFFFAOYSA-N |