methyl 6-[(5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carbonyl)amino]-2H-1,3-benzodioxole-5-carboxylate
Chemical Structure Depiction of
methyl 6-[(5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carbonyl)amino]-2H-1,3-benzodioxole-5-carboxylate
methyl 6-[(5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carbonyl)amino]-2H-1,3-benzodioxole-5-carboxylate
Compound characteristics
| Compound ID: | C909-0492 |
| Compound Name: | methyl 6-[(5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carbonyl)amino]-2H-1,3-benzodioxole-5-carboxylate |
| Molecular Weight: | 457.48 |
| Molecular Formula: | C21 H15 N O7 S2 |
| Smiles: | COC(c1cc2c(cc1NC(c1cc3CS(c4ccccc4c3s1)(=O)=O)=O)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8 |
| logD: | 3.6082 |
| logSw: | -3.9953 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.114 |
| InChI Key: | MGSNACALDVUNNG-UHFFFAOYSA-N |