4-{[(1H-benzimidazol-2-yl)methyl]sulfanyl}-6-methylfuro[3,4-c]pyridin-3(1H)-one
Chemical Structure Depiction of
4-{[(1H-benzimidazol-2-yl)methyl]sulfanyl}-6-methylfuro[3,4-c]pyridin-3(1H)-one
4-{[(1H-benzimidazol-2-yl)methyl]sulfanyl}-6-methylfuro[3,4-c]pyridin-3(1H)-one
Compound characteristics
| Compound ID: | 8015-3812 |
| Compound Name: | 4-{[(1H-benzimidazol-2-yl)methyl]sulfanyl}-6-methylfuro[3,4-c]pyridin-3(1H)-one |
| Molecular Weight: | 311.36 |
| Molecular Formula: | C16 H13 N3 O2 S |
| Smiles: | Cc1cc2COC(c2c(n1)SCc1nc2ccccc2[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7932 |
| logD: | 2.7931 |
| logSw: | -3.047 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.375 |
| InChI Key: | HVIBJXSTCWPEOT-UHFFFAOYSA-N |