methyl 4-{[(3-benzyl-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]methyl}benzoate
Chemical Structure Depiction of
methyl 4-{[(3-benzyl-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]methyl}benzoate
methyl 4-{[(3-benzyl-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]methyl}benzoate
Compound characteristics
| Compound ID: | C797-0885 |
| Compound Name: | methyl 4-{[(3-benzyl-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]methyl}benzoate |
| Molecular Weight: | 389.47 |
| Molecular Formula: | C22 H19 N3 O2 S |
| Smiles: | COC(c1ccc(CSc2nc3ccncc3n2Cc2ccccc2)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6545 |
| logD: | 4.6514 |
| logSw: | -4.3121 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.169 |
| InChI Key: | PQVJQILAFMUJSE-UHFFFAOYSA-N |