4-tert-butyl-N-[3-(5-chloro-2-methoxyanilino)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
Chemical Structure Depiction of
4-tert-butyl-N-[3-(5-chloro-2-methoxyanilino)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
4-tert-butyl-N-[3-(5-chloro-2-methoxyanilino)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
Compound characteristics
| Compound ID: | 2733-3838 |
| Compound Name: | 4-tert-butyl-N-[3-(5-chloro-2-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(Nc1cc(ccc1OC)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.4465 |
| logD: | 5.8818 |
| logSw: | -6.479 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.568 |
| InChI Key: | BCIJDYCPMCLRRI-UHFFFAOYSA-N |