methyl 4-[({3-[(3-fluorophenyl)methyl]-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]benzoate
Chemical Structure Depiction of
methyl 4-[({3-[(3-fluorophenyl)methyl]-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]benzoate
methyl 4-[({3-[(3-fluorophenyl)methyl]-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]benzoate
Compound characteristics
| Compound ID: | C797-0527 |
| Compound Name: | methyl 4-[({3-[(3-fluorophenyl)methyl]-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]benzoate |
| Molecular Weight: | 407.47 |
| Molecular Formula: | C22 H18 F N3 O2 S |
| Smiles: | COC(c1ccc(CSc2nc3ccncc3n2Cc2cccc(c2)F)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7767 |
| logD: | 4.7735 |
| logSw: | -4.5367 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.169 |
| InChI Key: | NJDDUVWAVLCVRG-UHFFFAOYSA-N |