N-butyl-4-(4-methylphenyl)-1-oxo-1H-2-benzopyran-3-carboxamide
Chemical Structure Depiction of
N-butyl-4-(4-methylphenyl)-1-oxo-1H-2-benzopyran-3-carboxamide
N-butyl-4-(4-methylphenyl)-1-oxo-1H-2-benzopyran-3-carboxamide
Compound characteristics
| Compound ID: | C378-0524 |
| Compound Name: | N-butyl-4-(4-methylphenyl)-1-oxo-1H-2-benzopyran-3-carboxamide |
| Molecular Weight: | 335.4 |
| Molecular Formula: | C21 H21 N O3 |
| Smiles: | CCCCNC(C1=C(c2ccc(C)cc2)c2ccccc2C(=O)O1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1856 |
| logD: | 4.1856 |
| logSw: | -4.4082 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.494 |
| InChI Key: | XQIFWNIJOWHODC-UHFFFAOYSA-N |