4-chloro-N-[1-(3,4-dimethoxyphenyl)-3-(2-methoxy-4-nitroanilino)-3-oxoprop-1-en-2-yl]benzamide
Chemical Structure Depiction of
4-chloro-N-[1-(3,4-dimethoxyphenyl)-3-(2-methoxy-4-nitroanilino)-3-oxoprop-1-en-2-yl]benzamide
4-chloro-N-[1-(3,4-dimethoxyphenyl)-3-(2-methoxy-4-nitroanilino)-3-oxoprop-1-en-2-yl]benzamide
Compound characteristics
| Compound ID: | 2681-3358 |
| Compound Name: | 4-chloro-N-[1-(3,4-dimethoxyphenyl)-3-(2-methoxy-4-nitroanilino)-3-oxoprop-1-en-2-yl]benzamide |
| Molecular Weight: | 511.92 |
| Molecular Formula: | C25 H22 Cl N3 O7 |
| Smiles: | COc1cc(ccc1NC(/C(=C/c1ccc(c(c1)OC)OC)NC(c1ccc(cc1)[Cl])=O)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.4822 |
| logD: | 2.9889 |
| logSw: | -4.9954 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.829 |
| InChI Key: | KGQXYHLXXVCKQD-UHFFFAOYSA-N |