dimethyl 5-[(5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carbonyl)amino]benzene-1,3-dicarboxylate
Chemical Structure Depiction of
dimethyl 5-[(5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carbonyl)amino]benzene-1,3-dicarboxylate
dimethyl 5-[(5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carbonyl)amino]benzene-1,3-dicarboxylate
Compound characteristics
| Compound ID: | C909-0445 |
| Compound Name: | dimethyl 5-[(5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carbonyl)amino]benzene-1,3-dicarboxylate |
| Molecular Weight: | 471.51 |
| Molecular Formula: | C22 H17 N O7 S2 |
| Smiles: | COC(c1cc(cc(c1)NC(c1cc2CS(c3ccccc3c2s1)(=O)=O)=O)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3781 |
| logD: | 4.3781 |
| logSw: | -4.4479 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.87 |
| InChI Key: | RNSMCTQYZJNGER-UHFFFAOYSA-N |