methyl 6-[(8-methyl-4-oxo-4H-thieno[3,2-c][1]benzopyran-2-carbonyl)amino]-2H-1,3-benzodioxole-5-carboxylate
Chemical Structure Depiction of
methyl 6-[(8-methyl-4-oxo-4H-thieno[3,2-c][1]benzopyran-2-carbonyl)amino]-2H-1,3-benzodioxole-5-carboxylate
methyl 6-[(8-methyl-4-oxo-4H-thieno[3,2-c][1]benzopyran-2-carbonyl)amino]-2H-1,3-benzodioxole-5-carboxylate
Compound characteristics
| Compound ID: | C593-1338 |
| Compound Name: | methyl 6-[(8-methyl-4-oxo-4H-thieno[3,2-c][1]benzopyran-2-carbonyl)amino]-2H-1,3-benzodioxole-5-carboxylate |
| Molecular Weight: | 437.43 |
| Molecular Formula: | C22 H15 N O7 S |
| Smiles: | Cc1ccc2c(c1)c1c(cc(C(Nc3cc4c(cc3C(=O)OC)OCO4)=O)s1)C(=O)O2 |
| Stereo: | ACHIRAL |
| logP: | 4.652 |
| logD: | 4.0508 |
| logSw: | -4.5052 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.59 |
| InChI Key: | PYUWOOJMLUDBBG-UHFFFAOYSA-N |