methyl 2-{[1-(ethanesulfonyl)-1,2,3,4-tetrahydroquinoline-6-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 2-{[1-(ethanesulfonyl)-1,2,3,4-tetrahydroquinoline-6-carbonyl]amino}benzoate
methyl 2-{[1-(ethanesulfonyl)-1,2,3,4-tetrahydroquinoline-6-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | D348-0231 |
| Compound Name: | methyl 2-{[1-(ethanesulfonyl)-1,2,3,4-tetrahydroquinoline-6-carbonyl]amino}benzoate |
| Molecular Weight: | 402.47 |
| Molecular Formula: | C20 H22 N2 O5 S |
| Smiles: | CCS(N1CCCc2cc(ccc12)C(Nc1ccccc1C(=O)OC)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5297 |
| logD: | 1.6361 |
| logSw: | -3.1486 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.124 |
| InChI Key: | MXTJCKFGNWOABO-UHFFFAOYSA-N |