4-tert-butyl-N-[3-(2,5-dichloroanilino)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
Chemical Structure Depiction of
4-tert-butyl-N-[3-(2,5-dichloroanilino)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
4-tert-butyl-N-[3-(2,5-dichloroanilino)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
Compound characteristics
| Compound ID: | 2733-3797 |
| Compound Name: | 4-tert-butyl-N-[3-(2,5-dichloroanilino)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide |
| Molecular Weight: | 512.39 |
| Molecular Formula: | C26 H23 Cl2 N3 O4 |
| Smiles: | CC(C)(C)c1ccc(cc1)C(NC(=C/c1ccc(cc1)[N+]([O-])=O)\C(Nc1cc(ccc1[Cl])[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 7.0511 |
| logD: | 6.1302 |
| logSw: | -6.5529 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.938 |
| InChI Key: | HTOQWUZXGARJQO-UHFFFAOYSA-N |