methyl 2-{[1-(3,4-dimethoxybenzene-1-sulfonyl)piperidine-4-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 2-{[1-(3,4-dimethoxybenzene-1-sulfonyl)piperidine-4-carbonyl]amino}benzoate
methyl 2-{[1-(3,4-dimethoxybenzene-1-sulfonyl)piperidine-4-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | 5641-1839 |
| Compound Name: | methyl 2-{[1-(3,4-dimethoxybenzene-1-sulfonyl)piperidine-4-carbonyl]amino}benzoate |
| Molecular Weight: | 462.52 |
| Molecular Formula: | C22 H26 N2 O7 S |
| Smiles: | COC(c1ccccc1NC(C1CCN(CC1)S(c1ccc(c(c1)OC)OC)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3757 |
| logD: | 2.3074 |
| logSw: | -3.1175 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.777 |
| InChI Key: | UCPGIEUCZLTUFR-UHFFFAOYSA-N |