dimethyl 5-{[1-(ethanesulfonyl)-1,2,3,4-tetrahydroquinoline-6-carbonyl]amino}benzene-1,3-dicarboxylate
Chemical Structure Depiction of
dimethyl 5-{[1-(ethanesulfonyl)-1,2,3,4-tetrahydroquinoline-6-carbonyl]amino}benzene-1,3-dicarboxylate
dimethyl 5-{[1-(ethanesulfonyl)-1,2,3,4-tetrahydroquinoline-6-carbonyl]amino}benzene-1,3-dicarboxylate
Compound characteristics
| Compound ID: | D348-0274 |
| Compound Name: | dimethyl 5-{[1-(ethanesulfonyl)-1,2,3,4-tetrahydroquinoline-6-carbonyl]amino}benzene-1,3-dicarboxylate |
| Molecular Weight: | 460.5 |
| Molecular Formula: | C22 H24 N2 O7 S |
| Smiles: | CCS(N1CCCc2cc(ccc12)C(Nc1cc(cc(c1)C(=O)OC)C(=O)OC)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0958 |
| logD: | 3.0907 |
| logSw: | -3.6335 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.996 |
| InChI Key: | SGFBQZUTMMJVKX-UHFFFAOYSA-N |