N-[3-(4-chloro-3-nitroanilino)-3-oxo-1-(3,4,5-trimethoxyphenyl)prop-1-en-2-yl]benzamide
Chemical Structure Depiction of
N-[3-(4-chloro-3-nitroanilino)-3-oxo-1-(3,4,5-trimethoxyphenyl)prop-1-en-2-yl]benzamide
N-[3-(4-chloro-3-nitroanilino)-3-oxo-1-(3,4,5-trimethoxyphenyl)prop-1-en-2-yl]benzamide
Compound characteristics
| Compound ID: | 2681-3365 |
| Compound Name: | N-[3-(4-chloro-3-nitroanilino)-3-oxo-1-(3,4,5-trimethoxyphenyl)prop-1-en-2-yl]benzamide |
| Molecular Weight: | 511.92 |
| Molecular Formula: | C25 H22 Cl N3 O7 |
| Smiles: | COc1cc(/C=C(/C(Nc2ccc(c(c2)[N+]([O-])=O)[Cl])=O)NC(c2ccccc2)=O)cc(c1OC)OC |
| Stereo: | ACHIRAL |
| logP: | 4.1939 |
| logD: | 2.6615 |
| logSw: | -4.6719 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 101.313 |
| InChI Key: | XYVGCRJPYNJREZ-UHFFFAOYSA-N |