N-[3-(3-chloro-4-fluoroanilino)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide
Chemical Structure Depiction of
N-[3-(3-chloro-4-fluoroanilino)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide
N-[3-(3-chloro-4-fluoroanilino)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide
Compound characteristics
| Compound ID: | 2681-3500 |
| Compound Name: | N-[3-(3-chloro-4-fluoroanilino)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide |
| Molecular Weight: | 469.86 |
| Molecular Formula: | C23 H17 Cl F N3 O5 |
| Smiles: | COc1ccccc1C(NC(=C/c1ccc(cc1)[N+]([O-])=O)\C(Nc1ccc(c(c1)[Cl])F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7561 |
| logD: | 3.9117 |
| logSw: | -5.032 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.266 |
| InChI Key: | DNKXSFYQCXRZBQ-UHFFFAOYSA-N |