7-{[(1H-benzimidazol-2-yl)sulfanyl]methyl}-2-(thiophen-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
7-{[(1H-benzimidazol-2-yl)sulfanyl]methyl}-2-(thiophen-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
7-{[(1H-benzimidazol-2-yl)sulfanyl]methyl}-2-(thiophen-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | C679-2692 |
| Compound Name: | 7-{[(1H-benzimidazol-2-yl)sulfanyl]methyl}-2-(thiophen-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 397.5 |
| Molecular Formula: | C17 H11 N5 O S3 |
| Smiles: | C(C1=CC(N2C(=N1)SC(c1cccs1)=N2)=O)Sc1nc2ccccc2[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 3.2563 |
| logD: | 3.2557 |
| logSw: | -3.4818 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.031 |
| InChI Key: | OFZKVSXDNDFHSY-UHFFFAOYSA-N |