N-(5-carbamoyl-3-cyano-4-methylthiophen-2-yl)-6-chloro-2-oxo-2H-1-benzopyran-3-carboxamide
Chemical Structure Depiction of
N-(5-carbamoyl-3-cyano-4-methylthiophen-2-yl)-6-chloro-2-oxo-2H-1-benzopyran-3-carboxamide
N-(5-carbamoyl-3-cyano-4-methylthiophen-2-yl)-6-chloro-2-oxo-2H-1-benzopyran-3-carboxamide
Compound characteristics
| Compound ID: | Y200-6489 |
| Compound Name: | N-(5-carbamoyl-3-cyano-4-methylthiophen-2-yl)-6-chloro-2-oxo-2H-1-benzopyran-3-carboxamide |
| Molecular Weight: | 387.8 |
| Molecular Formula: | C17 H10 Cl N3 O4 S |
| Smiles: | Cc1c(C#N)c(NC(C2=Cc3cc(ccc3OC2=O)[Cl])=O)sc1C(N)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0877 |
| logD: | -2.6722 |
| logSw: | -3.5464 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 95.161 |
| InChI Key: | QRJQXOLAZJPDDM-UHFFFAOYSA-N |