N-[3-(4-nitroanilino)-3-oxo-1-(3,4,5-trimethoxyphenyl)prop-1-en-2-yl]benzamide
Chemical Structure Depiction of
N-[3-(4-nitroanilino)-3-oxo-1-(3,4,5-trimethoxyphenyl)prop-1-en-2-yl]benzamide
N-[3-(4-nitroanilino)-3-oxo-1-(3,4,5-trimethoxyphenyl)prop-1-en-2-yl]benzamide
Compound characteristics
| Compound ID: | 2628-3325 |
| Compound Name: | N-[3-(4-nitroanilino)-3-oxo-1-(3,4,5-trimethoxyphenyl)prop-1-en-2-yl]benzamide |
| Molecular Weight: | 477.47 |
| Molecular Formula: | C25 H23 N3 O7 |
| Smiles: | COc1cc(\C=C(/C(Nc2ccc(cc2)[N+]([O-])=O)=O)NC(c2ccccc2)=O)cc(c1OC)OC |
| Stereo: | ACHIRAL |
| logP: | 3.8449 |
| logD: | 3.527 |
| logSw: | -4.1736 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 101.614 |
| InChI Key: | OVQPQMMXYUAXBL-UHFFFAOYSA-N |