4-tert-butyl-N-[3-(3-chloro-4-methylanilino)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
Chemical Structure Depiction of
4-tert-butyl-N-[3-(3-chloro-4-methylanilino)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
4-tert-butyl-N-[3-(3-chloro-4-methylanilino)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
Compound characteristics
| Compound ID: | 2733-3775 |
| Compound Name: | 4-tert-butyl-N-[3-(3-chloro-4-methylanilino)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide |
| Molecular Weight: | 491.97 |
| Molecular Formula: | C27 H26 Cl N3 O4 |
| Smiles: | Cc1ccc(cc1[Cl])NC(/C(=C/c1ccc(cc1)[N+]([O-])=O)NC(c1ccc(cc1)C(C)(C)C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 7.3856 |
| logD: | 7.2476 |
| logSw: | -6.5851 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.636 |
| InChI Key: | FXSZRONUKJYYBU-UHFFFAOYSA-N |