N-(3-chloro-4-methoxyphenyl)-4-oxo-4H-1-benzopyran-2-carboxamide
Chemical Structure Depiction of
N-(3-chloro-4-methoxyphenyl)-4-oxo-4H-1-benzopyran-2-carboxamide
N-(3-chloro-4-methoxyphenyl)-4-oxo-4H-1-benzopyran-2-carboxamide
Compound characteristics
| Compound ID: | D103-2229 |
| Compound Name: | N-(3-chloro-4-methoxyphenyl)-4-oxo-4H-1-benzopyran-2-carboxamide |
| Molecular Weight: | 329.74 |
| Molecular Formula: | C17 H12 Cl N O4 |
| Smiles: | [H]N(C(C1=CC(c2ccccc2O1)=O)=O)c1ccc(c(c1)[Cl])OC |
| Stereo: | ACHIRAL |
| logP: | 3.6009 |
| logD: | 3.5784 |
| logSw: | -3.9203 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.778 |
| InChI Key: | NOZFRZSLKUVMOD-UHFFFAOYSA-N |