4-{[3,6-bis(ethoxycarbonyl)quinolin-4-yl]amino}benzoic acid--hydrogen chloride (1/1)
Chemical Structure Depiction of
4-{[3,6-bis(ethoxycarbonyl)quinolin-4-yl]amino}benzoic acid--hydrogen chloride (1/1)
4-{[3,6-bis(ethoxycarbonyl)quinolin-4-yl]amino}benzoic acid--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 4593-3052 |
| Compound Name: | 4-{[3,6-bis(ethoxycarbonyl)quinolin-4-yl]amino}benzoic acid--hydrogen chloride (1/1) |
| Molecular Weight: | 444.87 |
| Molecular Formula: | C22 H20 N2 O6 |
| Salt: | HCl |
| Smiles: | CCOC(c1ccc2c(c1)c(c(cn2)C(=O)OCC)Nc1ccc(cc1)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6957 |
| logD: | 2.3005 |
| logSw: | -4.2314 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.523 |
| InChI Key: | VBMCHIXZUZWCNQ-UHFFFAOYSA-N |