7-{[(1H-benzimidazol-2-yl)sulfanyl]methyl}-2-ethyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
7-{[(1H-benzimidazol-2-yl)sulfanyl]methyl}-2-ethyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
7-{[(1H-benzimidazol-2-yl)sulfanyl]methyl}-2-ethyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | C679-3294 |
| Compound Name: | 7-{[(1H-benzimidazol-2-yl)sulfanyl]methyl}-2-ethyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 343.43 |
| Molecular Formula: | C15 H13 N5 O S2 |
| Smiles: | CCC1=NN2C(=NC(CSc3nc4ccccc4[nH]3)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 2.6345 |
| logD: | 2.631 |
| logSw: | -2.8526 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.187 |
| InChI Key: | MEAIYZWQLRDDPZ-UHFFFAOYSA-N |