ethyl 3-[(5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carbonyl)amino]benzoate
Chemical Structure Depiction of
ethyl 3-[(5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carbonyl)amino]benzoate
ethyl 3-[(5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | C909-0413 |
| Compound Name: | ethyl 3-[(5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carbonyl)amino]benzoate |
| Molecular Weight: | 427.5 |
| Molecular Formula: | C21 H17 N O5 S2 |
| Smiles: | CCOC(c1cccc(c1)NC(c1cc2CS(c3ccccc3c2s1)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6713 |
| logD: | 4.6713 |
| logSw: | -4.4315 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.276 |
| InChI Key: | BJRLJTDVTWRRTK-UHFFFAOYSA-N |