4-butyl-N-[1-(4-methylphenyl)-3-(4-nitroanilino)-3-oxoprop-1-en-2-yl]benzamide
Chemical Structure Depiction of
4-butyl-N-[1-(4-methylphenyl)-3-(4-nitroanilino)-3-oxoprop-1-en-2-yl]benzamide
4-butyl-N-[1-(4-methylphenyl)-3-(4-nitroanilino)-3-oxoprop-1-en-2-yl]benzamide
Compound characteristics
| Compound ID: | 2447-2967 |
| Compound Name: | 4-butyl-N-[1-(4-methylphenyl)-3-(4-nitroanilino)-3-oxoprop-1-en-2-yl]benzamide |
| Molecular Weight: | 457.53 |
| Molecular Formula: | C27 H27 N3 O4 |
| Smiles: | CCCCc1ccc(cc1)C(NC(=C/c1ccc(C)cc1)\C(Nc1ccc(cc1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.5935 |
| logD: | 6.2756 |
| logSw: | -5.6527 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.636 |
| InChI Key: | OTLHIBAKHMZTQX-UHFFFAOYSA-N |