3-(4-methylphenyl)-N-(3-nitrophenyl)-1-oxo-3,4-dihydro-1H-2-benzopyran-6-carboxamide
Chemical Structure Depiction of
3-(4-methylphenyl)-N-(3-nitrophenyl)-1-oxo-3,4-dihydro-1H-2-benzopyran-6-carboxamide
3-(4-methylphenyl)-N-(3-nitrophenyl)-1-oxo-3,4-dihydro-1H-2-benzopyran-6-carboxamide
Compound characteristics
| Compound ID: | D429-0034 |
| Compound Name: | 3-(4-methylphenyl)-N-(3-nitrophenyl)-1-oxo-3,4-dihydro-1H-2-benzopyran-6-carboxamide |
| Molecular Weight: | 402.41 |
| Molecular Formula: | C23 H18 N2 O5 |
| Smiles: | Cc1ccc(cc1)C1Cc2cc(ccc2C(=O)O1)C(Nc1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0625 |
| logD: | 4.9474 |
| logSw: | -4.7231 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.264 |
| InChI Key: | ZUPQDXMYDXUZRJ-OAQYLSRUSA-N |