N-[3-(2-chloroanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]cyclohexanecarboxamide
Chemical Structure Depiction of
N-[3-(2-chloroanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]cyclohexanecarboxamide
N-[3-(2-chloroanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]cyclohexanecarboxamide
Compound characteristics
| Compound ID: | 2733-3827 |
| Compound Name: | N-[3-(2-chloroanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]cyclohexanecarboxamide |
| Molecular Weight: | 427.89 |
| Molecular Formula: | C22 H22 Cl N3 O4 |
| Smiles: | C1CCC(CC1)C(NC(=C/c1cccc(c1)[N+]([O-])=O)\C(Nc1ccccc1[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6266 |
| logD: | 4.3165 |
| logSw: | -4.8651 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.13 |
| InChI Key: | NDKWRYPNBOKNIM-UHFFFAOYSA-N |