N-[2-(4-tert-butylphenyl)-4-oxo-4H-1-benzopyran-7-yl]pyridine-4-carboxamide
Chemical Structure Depiction of
N-[2-(4-tert-butylphenyl)-4-oxo-4H-1-benzopyran-7-yl]pyridine-4-carboxamide
N-[2-(4-tert-butylphenyl)-4-oxo-4H-1-benzopyran-7-yl]pyridine-4-carboxamide
Compound characteristics
| Compound ID: | F263-0091 |
| Compound Name: | N-[2-(4-tert-butylphenyl)-4-oxo-4H-1-benzopyran-7-yl]pyridine-4-carboxamide |
| Molecular Weight: | 398.46 |
| Molecular Formula: | C25 H22 N2 O3 |
| Smiles: | CC(C)(C)c1ccc(cc1)C1=CC(c2ccc(cc2O1)NC(c1ccncc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5139 |
| logD: | 5.3562 |
| logSw: | -5.3414 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.305 |
| InChI Key: | ZYEIDYSUBXRZTJ-UHFFFAOYSA-N |