4-tert-butyl-N-[3-(3-chloro-4-methoxyanilino)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
Chemical Structure Depiction of
4-tert-butyl-N-[3-(3-chloro-4-methoxyanilino)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
4-tert-butyl-N-[3-(3-chloro-4-methoxyanilino)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
Compound characteristics
| Compound ID: | 2733-3798 |
| Compound Name: | 4-tert-butyl-N-[3-(3-chloro-4-methoxyanilino)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide |
| Molecular Weight: | 507.97 |
| Molecular Formula: | C27 H26 Cl N3 O5 |
| Smiles: | CC(C)(C)c1ccc(cc1)C(NC(=C/c1ccc(cc1)[N+]([O-])=O)\C(Nc1ccc(c(c1)[Cl])OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.506 |
| logD: | 6.3681 |
| logSw: | -6.4147 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.266 |
| InChI Key: | GDSHDRVVTKQKIT-UHFFFAOYSA-N |