N-[(4-ethylphenyl)methyl]-4-[({3-[(3-fluorophenyl)methyl]-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]benzamide--oxalic acid (1/1)
Chemical Structure Depiction of
N-[(4-ethylphenyl)methyl]-4-[({3-[(3-fluorophenyl)methyl]-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]benzamide--oxalic acid (1/1)
N-[(4-ethylphenyl)methyl]-4-[({3-[(3-fluorophenyl)methyl]-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]benzamide--oxalic acid (1/1)
Compound characteristics
| Compound ID: | C797-0656 |
| Compound Name: | N-[(4-ethylphenyl)methyl]-4-[({3-[(3-fluorophenyl)methyl]-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]benzamide--oxalic acid (1/1) |
| Molecular Weight: | 600.67 |
| Molecular Formula: | C30 H27 F N4 O S |
| Salt: | HOOCCOOH |
| Smiles: | CCc1ccc(CNC(c2ccc(CSc3nc4ccncc4n3Cc3cccc(c3)F)cc2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.1135 |
| logD: | 6.1104 |
| logSw: | -5.2443 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.409 |
| InChI Key: | NYUUZBUVIRDRNO-UHFFFAOYSA-N |