N-[(2H-1,3-benzodioxol-5-yl)methyl]-8-methyl-4-oxo-4H-thieno[3,2-c][1]benzopyran-2-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-8-methyl-4-oxo-4H-thieno[3,2-c][1]benzopyran-2-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-8-methyl-4-oxo-4H-thieno[3,2-c][1]benzopyran-2-carboxamide
Compound characteristics
| Compound ID: | C593-1209 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-8-methyl-4-oxo-4H-thieno[3,2-c][1]benzopyran-2-carboxamide |
| Molecular Weight: | 393.42 |
| Molecular Formula: | C21 H15 N O5 S |
| Smiles: | Cc1ccc2c(c1)c1c(cc(C(NCc3ccc4c(c3)OCO4)=O)s1)C(=O)O2 |
| Stereo: | ACHIRAL |
| logP: | 4.2426 |
| logD: | 4.2426 |
| logSw: | -4.3411 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.436 |
| InChI Key: | IGQUVGCKNGTNHG-UHFFFAOYSA-N |