N-[3-(4-chloro-3-nitroanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide
Chemical Structure Depiction of
N-[3-(4-chloro-3-nitroanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide
N-[3-(4-chloro-3-nitroanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide
Compound characteristics
| Compound ID: | 2681-3596 |
| Compound Name: | N-[3-(4-chloro-3-nitroanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide |
| Molecular Weight: | 472.86 |
| Molecular Formula: | C20 H13 Cl N4 O6 S |
| Smiles: | C(=C(/C(Nc1ccc(c(c1)[N+]([O-])=O)[Cl])=O)NC(c1cccs1)=O)\c1cccc(c1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.2709 |
| logD: | 2.7159 |
| logSw: | -4.6403 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 112.735 |
| InChI Key: | APACZBIBPHFKFA-UHFFFAOYSA-N |