4-[(2-{[(3-fluorophenyl)methyl]sulfanyl}-3H-imidazo[4,5-b]pyridin-3-yl)methyl]-N-[(3-methylphenyl)methyl]benzamide--oxalic acid (1/1)
Chemical Structure Depiction of
4-[(2-{[(3-fluorophenyl)methyl]sulfanyl}-3H-imidazo[4,5-b]pyridin-3-yl)methyl]-N-[(3-methylphenyl)methyl]benzamide--oxalic acid (1/1)
4-[(2-{[(3-fluorophenyl)methyl]sulfanyl}-3H-imidazo[4,5-b]pyridin-3-yl)methyl]-N-[(3-methylphenyl)methyl]benzamide--oxalic acid (1/1)
Compound characteristics
| Compound ID: | E642-1064 |
| Compound Name: | 4-[(2-{[(3-fluorophenyl)methyl]sulfanyl}-3H-imidazo[4,5-b]pyridin-3-yl)methyl]-N-[(3-methylphenyl)methyl]benzamide--oxalic acid (1/1) |
| Molecular Weight: | 586.64 |
| Molecular Formula: | C29 H25 F N4 O S |
| Salt: | HOOCCOOH |
| Smiles: | Cc1cccc(CNC(c2ccc(Cn3c(nc4cccnc34)SCc3cccc(c3)F)cc2)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 6.1134 |
| logD: | 6.1126 |
| logSw: | -5.4051 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.797 |
| InChI Key: | HZTQBQDHKMLAMW-UHFFFAOYSA-N |