N-{3-[ethyl(3-methylphenyl)amino]propyl}-4-(4-methylphenyl)-1-oxo-1H-2-benzopyran-3-carboxamide
Chemical Structure Depiction of
N-{3-[ethyl(3-methylphenyl)amino]propyl}-4-(4-methylphenyl)-1-oxo-1H-2-benzopyran-3-carboxamide
N-{3-[ethyl(3-methylphenyl)amino]propyl}-4-(4-methylphenyl)-1-oxo-1H-2-benzopyran-3-carboxamide
Compound characteristics
| Compound ID: | K953-0141 |
| Compound Name: | N-{3-[ethyl(3-methylphenyl)amino]propyl}-4-(4-methylphenyl)-1-oxo-1H-2-benzopyran-3-carboxamide |
| Molecular Weight: | 454.57 |
| Molecular Formula: | C29 H30 N2 O3 |
| Smiles: | CCN(CCCNC(C1=C(c2ccc(C)cc2)c2ccccc2C(=O)O1)=O)c1cccc(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.5218 |
| logD: | 5.5112 |
| logSw: | -5.417 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.213 |
| InChI Key: | XOUGSEATPBTEHX-UHFFFAOYSA-N |