7-{[(1H-benzimidazol-2-yl)sulfanyl]methyl}-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
7-{[(1H-benzimidazol-2-yl)sulfanyl]methyl}-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
7-{[(1H-benzimidazol-2-yl)sulfanyl]methyl}-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | C679-3315 |
| Compound Name: | 7-{[(1H-benzimidazol-2-yl)sulfanyl]methyl}-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 357.45 |
| Molecular Formula: | C16 H15 N5 O S2 |
| Smiles: | CCCC1=NN2C(=NC(CSc3nc4ccccc4[nH]3)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.1713 |
| logD: | 3.169 |
| logSw: | -3.3605 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.187 |
| InChI Key: | WTUKHFJGTFEBAK-UHFFFAOYSA-N |