methyl 2-{[1-(ethanesulfonyl)-1,2,3,4-tetrahydroquinoline-6-carbonyl]amino}-4,5-dimethoxybenzoate
Chemical Structure Depiction of
methyl 2-{[1-(ethanesulfonyl)-1,2,3,4-tetrahydroquinoline-6-carbonyl]amino}-4,5-dimethoxybenzoate
methyl 2-{[1-(ethanesulfonyl)-1,2,3,4-tetrahydroquinoline-6-carbonyl]amino}-4,5-dimethoxybenzoate
Compound characteristics
| Compound ID: | D348-0273 |
| Compound Name: | methyl 2-{[1-(ethanesulfonyl)-1,2,3,4-tetrahydroquinoline-6-carbonyl]amino}-4,5-dimethoxybenzoate |
| Molecular Weight: | 462.52 |
| Molecular Formula: | C22 H26 N2 O7 S |
| Smiles: | CCS(N1CCCc2cc(ccc12)C(Nc1cc(c(cc1C(=O)OC)OC)OC)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2053 |
| logD: | 0.0652 |
| logSw: | -3.0869 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.385 |
| InChI Key: | TXNPXLLFKGFFKX-UHFFFAOYSA-N |