N-[3-(2,4-dichloroanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]cyclohexanecarboxamide
Chemical Structure Depiction of
N-[3-(2,4-dichloroanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]cyclohexanecarboxamide
N-[3-(2,4-dichloroanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]cyclohexanecarboxamide
Compound characteristics
| Compound ID: | 2733-3823 |
| Compound Name: | N-[3-(2,4-dichloroanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]cyclohexanecarboxamide |
| Molecular Weight: | 462.33 |
| Molecular Formula: | C22 H21 Cl2 N3 O4 |
| Smiles: | C1CCC(CC1)C(NC(=C/c1cccc(c1)[N+]([O-])=O)\C(Nc1ccc(cc1[Cl])[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5176 |
| logD: | 3.6961 |
| logSw: | -6.0599 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.13 |
| InChI Key: | DRPHVSQONCBEKG-UHFFFAOYSA-N |