3-(4-chlorophenyl)-N-(3-nitrophenyl)-1-oxo-3,4-dihydro-1H-2-benzopyran-6-carboxamide
Chemical Structure Depiction of
3-(4-chlorophenyl)-N-(3-nitrophenyl)-1-oxo-3,4-dihydro-1H-2-benzopyran-6-carboxamide
3-(4-chlorophenyl)-N-(3-nitrophenyl)-1-oxo-3,4-dihydro-1H-2-benzopyran-6-carboxamide
Compound characteristics
| Compound ID: | D429-0036 |
| Compound Name: | 3-(4-chlorophenyl)-N-(3-nitrophenyl)-1-oxo-3,4-dihydro-1H-2-benzopyran-6-carboxamide |
| Molecular Weight: | 422.82 |
| Molecular Formula: | C22 H15 Cl N2 O5 |
| Smiles: | C1C(c2ccc(cc2)[Cl])OC(c2ccc(cc12)C(Nc1cccc(c1)[N+]([O-])=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2339 |
| logD: | 5.1188 |
| logSw: | -5.8091 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.264 |
| InChI Key: | FSESSJPXLVIHGD-FQEVSTJZSA-N |