7-{[(1H-benzimidazol-2-yl)sulfanyl]methyl}-2-(ethylsulfanyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
7-{[(1H-benzimidazol-2-yl)sulfanyl]methyl}-2-(ethylsulfanyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
7-{[(1H-benzimidazol-2-yl)sulfanyl]methyl}-2-(ethylsulfanyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | C679-2579 |
| Compound Name: | 7-{[(1H-benzimidazol-2-yl)sulfanyl]methyl}-2-(ethylsulfanyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 375.49 |
| Molecular Formula: | C15 H13 N5 O S3 |
| Smiles: | CCSC1=NN2C(=NC(CSc3nc4ccccc4[nH]3)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.3386 |
| logD: | 3.3379 |
| logSw: | -3.6161 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.703 |
| InChI Key: | YRLWUKAAZLEIHW-UHFFFAOYSA-N |