N-[3-(3-chloro-4-fluoroanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide
Chemical Structure Depiction of
N-[3-(3-chloro-4-fluoroanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide
N-[3-(3-chloro-4-fluoroanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide
Compound characteristics
| Compound ID: | 3061-4305 |
| Compound Name: | N-[3-(3-chloro-4-fluoroanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide |
| Molecular Weight: | 445.85 |
| Molecular Formula: | C20 H13 Cl F N3 O4 S |
| Smiles: | C(=C(/C(Nc1ccc(c(c1)[Cl])F)=O)NC(c1cccs1)=O)\c1cccc(c1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.7263 |
| logD: | 3.862 |
| logSw: | -5.1305 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.654 |
| InChI Key: | BWEZZJIGHLMHSZ-UHFFFAOYSA-N |