7-{[(1H-benzimidazol-2-yl)sulfanyl]methyl}-2-(methylsulfanyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
7-{[(1H-benzimidazol-2-yl)sulfanyl]methyl}-2-(methylsulfanyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
7-{[(1H-benzimidazol-2-yl)sulfanyl]methyl}-2-(methylsulfanyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | C679-2562 |
| Compound Name: | 7-{[(1H-benzimidazol-2-yl)sulfanyl]methyl}-2-(methylsulfanyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 361.46 |
| Molecular Formula: | C14 H11 N5 O S3 |
| Smiles: | CSC1=NN2C(=NC(CSc3nc4ccccc4[nH]3)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 2.8539 |
| logD: | 2.8531 |
| logSw: | -3.2853 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.703 |
| InChI Key: | NIXDHDBRCULGIO-UHFFFAOYSA-N |