N-[3-cyano-5-(diethylcarbamoyl)-4-methylthiophen-2-yl]-2-oxo-2H-1-benzopyran-3-carboxamide
Chemical Structure Depiction of
N-[3-cyano-5-(diethylcarbamoyl)-4-methylthiophen-2-yl]-2-oxo-2H-1-benzopyran-3-carboxamide
N-[3-cyano-5-(diethylcarbamoyl)-4-methylthiophen-2-yl]-2-oxo-2H-1-benzopyran-3-carboxamide
Compound characteristics
| Compound ID: | Y200-6521 |
| Compound Name: | N-[3-cyano-5-(diethylcarbamoyl)-4-methylthiophen-2-yl]-2-oxo-2H-1-benzopyran-3-carboxamide |
| Molecular Weight: | 409.46 |
| Molecular Formula: | C21 H19 N3 O4 S |
| Smiles: | CCN(CC)C(c1c(C)c(C#N)c(NC(C2=Cc3ccccc3OC2=O)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6789 |
| logD: | -0.6417 |
| logSw: | -3.2009 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.034 |
| InChI Key: | LOUBKRDKNNERCO-UHFFFAOYSA-N |