7-{[(1H-benzimidazol-2-yl)sulfanyl]methyl}-2-(3-methylphenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
7-{[(1H-benzimidazol-2-yl)sulfanyl]methyl}-2-(3-methylphenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
7-{[(1H-benzimidazol-2-yl)sulfanyl]methyl}-2-(3-methylphenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | C679-2629 |
| Compound Name: | 7-{[(1H-benzimidazol-2-yl)sulfanyl]methyl}-2-(3-methylphenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 405.5 |
| Molecular Formula: | C20 H15 N5 O S2 |
| Smiles: | Cc1cccc(c1)C1=NN2C(=NC(CSc3nc4ccccc4[nH]3)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.7646 |
| logD: | 3.764 |
| logSw: | -3.9597 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.012 |
| InChI Key: | LGHZSEBGAROKRW-UHFFFAOYSA-N |