methyl 2-[(5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carbonyl)amino]benzoate
Chemical Structure Depiction of
methyl 2-[(5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carbonyl)amino]benzoate
methyl 2-[(5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | C909-0296 |
| Compound Name: | methyl 2-[(5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carbonyl)amino]benzoate |
| Molecular Weight: | 413.47 |
| Molecular Formula: | C20 H15 N O5 S2 |
| Smiles: | COC(c1ccccc1NC(c1cc2CS(c3ccccc3c2s1)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8121 |
| logD: | 3.8002 |
| logSw: | -4.0147 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.999 |
| InChI Key: | VWDXHVFCRAPRPU-UHFFFAOYSA-N |