N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-oxo-2H-1-benzopyran-3-carboxamide
Chemical Structure Depiction of
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-oxo-2H-1-benzopyran-3-carboxamide
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-oxo-2H-1-benzopyran-3-carboxamide
Compound characteristics
| Compound ID: | 2043-7367 |
| Compound Name: | N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-oxo-2H-1-benzopyran-3-carboxamide |
| Molecular Weight: | 324.36 |
| Molecular Formula: | C17 H12 N2 O3 S |
| Smiles: | Cc1c(C#N)c(NC(C2=Cc3ccccc3OC2=O)=O)sc1C |
| Stereo: | ACHIRAL |
| logP: | 3.0764 |
| logD: | -0.8774 |
| logSw: | -3.6114 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.102 |
| InChI Key: | KGFVRUOXGFMTTB-UHFFFAOYSA-N |