dimethyl 5-[(4-{[(thiophene-2-sulfonyl)amino]methyl}cyclohexane-1-carbonyl)amino]benzene-1,3-dicarboxylate
Chemical Structure Depiction of
dimethyl 5-[(4-{[(thiophene-2-sulfonyl)amino]methyl}cyclohexane-1-carbonyl)amino]benzene-1,3-dicarboxylate
dimethyl 5-[(4-{[(thiophene-2-sulfonyl)amino]methyl}cyclohexane-1-carbonyl)amino]benzene-1,3-dicarboxylate
Compound characteristics
| Compound ID: | C274-0712 |
| Compound Name: | dimethyl 5-[(4-{[(thiophene-2-sulfonyl)amino]methyl}cyclohexane-1-carbonyl)amino]benzene-1,3-dicarboxylate |
| Molecular Weight: | 494.58 |
| Molecular Formula: | C22 H26 N2 O7 S2 |
| Smiles: | COC(c1cc(cc(c1)NC(C1CCC(CC1)CNS(c1cccs1)(=O)=O)=O)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1078 |
| logD: | 4.1077 |
| logSw: | -4.3194 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 108.646 |
| InChI Key: | MCCJHLSJWAMJDQ-UHFFFAOYSA-N |