8-methyl-N-(2-methyl-3-nitrophenyl)-4-oxo-4H-thieno[3,2-c][1]benzopyran-2-carboxamide
Chemical Structure Depiction of
8-methyl-N-(2-methyl-3-nitrophenyl)-4-oxo-4H-thieno[3,2-c][1]benzopyran-2-carboxamide
8-methyl-N-(2-methyl-3-nitrophenyl)-4-oxo-4H-thieno[3,2-c][1]benzopyran-2-carboxamide
Compound characteristics
| Compound ID: | C593-1237 |
| Compound Name: | 8-methyl-N-(2-methyl-3-nitrophenyl)-4-oxo-4H-thieno[3,2-c][1]benzopyran-2-carboxamide |
| Molecular Weight: | 394.4 |
| Molecular Formula: | C20 H14 N2 O5 S |
| Smiles: | Cc1ccc2c(c1)c1c(cc(C(Nc3cccc(c3C)[N+]([O-])=O)=O)s1)C(=O)O2 |
| Stereo: | ACHIRAL |
| logP: | 4.877 |
| logD: | 4.8712 |
| logSw: | -4.6516 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.381 |
| InChI Key: | KDJSYUYMFOKQDQ-UHFFFAOYSA-N |