N-{[3-methyl-4-(2-oxo-2H-1-benzopyran-3-yl)phenyl]carbamothioyl}furan-2-carboxamide
Chemical Structure Depiction of
N-{[3-methyl-4-(2-oxo-2H-1-benzopyran-3-yl)phenyl]carbamothioyl}furan-2-carboxamide
N-{[3-methyl-4-(2-oxo-2H-1-benzopyran-3-yl)phenyl]carbamothioyl}furan-2-carboxamide
Compound characteristics
| Compound ID: | 3616-1912 |
| Compound Name: | N-{[3-methyl-4-(2-oxo-2H-1-benzopyran-3-yl)phenyl]carbamothioyl}furan-2-carboxamide |
| Molecular Weight: | 404.44 |
| Molecular Formula: | C22 H16 N2 O4 S |
| Smiles: | Cc1cc(ccc1C1=Cc2ccccc2OC1=O)NC(NC(c1ccco1)=O)=S |
| Stereo: | ACHIRAL |
| logP: | 4.2698 |
| logD: | 4.2697 |
| logSw: | -4.4571 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.468 |
| InChI Key: | KCYXRGBJORSAKC-UHFFFAOYSA-N |