methyl 4-{[1-(ethanesulfonyl)-1,2,3,4-tetrahydroquinoline-6-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 4-{[1-(ethanesulfonyl)-1,2,3,4-tetrahydroquinoline-6-carbonyl]amino}benzoate
methyl 4-{[1-(ethanesulfonyl)-1,2,3,4-tetrahydroquinoline-6-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | D348-0232 |
| Compound Name: | methyl 4-{[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(Nc1ccc(cc1)C(=O)OC)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6977 |
| logD: | 2.68 |
| logSw: | -3.3584 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.822 |
| InChI Key: | MFXLXVBOGHJPNR-UHFFFAOYSA-N |