N-(4-bromo-2-methylphenyl)-8-methyl-4-oxo-4H-thieno[3,2-c][1]benzopyran-2-carboxamide
Chemical Structure Depiction of
N-(4-bromo-2-methylphenyl)-8-methyl-4-oxo-4H-thieno[3,2-c][1]benzopyran-2-carboxamide
N-(4-bromo-2-methylphenyl)-8-methyl-4-oxo-4H-thieno[3,2-c][1]benzopyran-2-carboxamide
Compound characteristics
| Compound ID: | C593-1073 |
| Compound Name: | N-(4-bromo-2-methylphenyl)-8-methyl-4-oxo-4H-thieno[3,2-c][1]benzopyran-2-carboxamide |
| Molecular Weight: | 428.3 |
| Molecular Formula: | C20 H14 Br N O3 S |
| Smiles: | Cc1ccc2c(c1)c1c(cc(C(Nc3ccc(cc3C)[Br])=O)s1)C(=O)O2 |
| Stereo: | ACHIRAL |
| logP: | 5.7577 |
| logD: | 5.7568 |
| logSw: | -5.4958 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.3 |
| InChI Key: | CZJGRJOQDNSINV-UHFFFAOYSA-N |