N-[2-(2-tert-butylphenoxy)phenyl]-4-(4-methylphenyl)-1-oxo-1H-2-benzopyran-3-carboxamide
Chemical Structure Depiction of
N-[2-(2-tert-butylphenoxy)phenyl]-4-(4-methylphenyl)-1-oxo-1H-2-benzopyran-3-carboxamide
N-[2-(2-tert-butylphenoxy)phenyl]-4-(4-methylphenyl)-1-oxo-1H-2-benzopyran-3-carboxamide
Compound characteristics
| Compound ID: | K953-0012 |
| Compound Name: | N-[2-(2-tert-butylphenoxy)phenyl]-4-(4-methylphenyl)-1-oxo-1H-2-benzopyran-3-carboxamide |
| Molecular Weight: | 503.6 |
| Molecular Formula: | C33 H29 N O4 |
| Smiles: | Cc1ccc(cc1)C1=C(C(Nc2ccccc2Oc2ccccc2C(C)(C)C)=O)OC(c2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 7.6076 |
| logD: | 7.6076 |
| logSw: | -5.8505 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.282 |
| InChI Key: | AKMZRDQYXMQCED-UHFFFAOYSA-N |