N-[(3-chlorophenyl)methyl]-4-[({3-[(4-fluorophenyl)methyl]-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]benzamide--oxalic acid (1/1)
Chemical Structure Depiction of
N-[(3-chlorophenyl)methyl]-4-[({3-[(4-fluorophenyl)methyl]-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]benzamide--oxalic acid (1/1)
N-[(3-chlorophenyl)methyl]-4-[({3-[(4-fluorophenyl)methyl]-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]benzamide--oxalic acid (1/1)
Compound characteristics
| Compound ID: | C797-0694 |
| Compound Name: | N-[(3-chlorophenyl)methyl]-4-[({3-[(4-fluorophenyl)methyl]-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]benzamide--oxalic acid (1/1) |
| Molecular Weight: | 607.06 |
| Molecular Formula: | C28 H22 Cl F N4 O S |
| Salt: | HOOCCOOH |
| Smiles: | C(c1cccc(c1)[Cl])NC(c1ccc(CSc2nc3ccncc3n2Cc2ccc(cc2)F)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7871 |
| logD: | 5.784 |
| logSw: | -6.0875 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.409 |
| InChI Key: | RAYLUSLCKLYUEL-UHFFFAOYSA-N |