N-[2-chloro-5-(trifluoromethyl)phenyl]-7-(diethylamino)-2-oxo-2H-1-benzopyran-3-carboxamide
Chemical Structure Depiction of
N-[2-chloro-5-(trifluoromethyl)phenyl]-7-(diethylamino)-2-oxo-2H-1-benzopyran-3-carboxamide
N-[2-chloro-5-(trifluoromethyl)phenyl]-7-(diethylamino)-2-oxo-2H-1-benzopyran-3-carboxamide
Compound characteristics
| Compound ID: | K219-1111 |
| Compound Name: | N-[2-chloro-5-(trifluoromethyl)phenyl]-7-(diethylamino)-2-oxo-2H-1-benzopyran-3-carboxamide |
| Molecular Weight: | 438.83 |
| Molecular Formula: | C21 H18 Cl F3 N2 O3 |
| Smiles: | CCN(CC)c1ccc2C=C(C(Nc3cc(ccc3[Cl])C(F)(F)F)=O)C(=O)Oc2c1 |
| Stereo: | ACHIRAL |
| logP: | 5.2764 |
| logD: | 3.4811 |
| logSw: | -5.999 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.29 |
| InChI Key: | YRGHCQJSLVSFML-UHFFFAOYSA-N |