methyl 4-{[(3H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]methyl}benzoate
Chemical Structure Depiction of
methyl 4-{[(3H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]methyl}benzoate
methyl 4-{[(3H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]methyl}benzoate
Compound characteristics
| Compound ID: | C797-1171 |
| Compound Name: | methyl 4-{[(3H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]methyl}benzoate |
| Molecular Weight: | 299.35 |
| Molecular Formula: | C15 H13 N3 O2 S |
| Smiles: | COC(c1ccc(CSc2nc3cccnc3[nH]2)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3901 |
| logD: | 2.3817 |
| logSw: | -2.4313 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.528 |
| InChI Key: | XRXWSFPCVBEEQW-UHFFFAOYSA-N |