N-(3-chloro-4-methylphenyl)-4-oxo-4H-1-benzopyran-2-carboxamide
Chemical Structure Depiction of
N-(3-chloro-4-methylphenyl)-4-oxo-4H-1-benzopyran-2-carboxamide
N-(3-chloro-4-methylphenyl)-4-oxo-4H-1-benzopyran-2-carboxamide
Compound characteristics
| Compound ID: | D103-2232 |
| Compound Name: | N-(3-chloro-4-methylphenyl)-4-oxo-4H-1-benzopyran-2-carboxamide |
| Molecular Weight: | 313.74 |
| Molecular Formula: | C17 H12 Cl N O3 |
| Smiles: | [H]N(C(C1=CC(c2ccccc2O1)=O)=O)c1ccc(C)c(c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.4804 |
| logD: | 4.4662 |
| logSw: | -4.6097 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.148 |
| InChI Key: | UWHDJFBCELFWND-UHFFFAOYSA-N |