4-butyl-N-[3-(4-chloro-3-nitroanilino)-1-(4-fluorophenyl)-3-oxoprop-1-en-2-yl]benzamide
Chemical Structure Depiction of
4-butyl-N-[3-(4-chloro-3-nitroanilino)-1-(4-fluorophenyl)-3-oxoprop-1-en-2-yl]benzamide
4-butyl-N-[3-(4-chloro-3-nitroanilino)-1-(4-fluorophenyl)-3-oxoprop-1-en-2-yl]benzamide
Compound characteristics
| Compound ID: | 2447-2952 |
| Compound Name: | 4-butyl-N-[3-(4-chloro-3-nitroanilino)-1-(4-fluorophenyl)-3-oxoprop-1-en-2-yl]benzamide |
| Molecular Weight: | 495.94 |
| Molecular Formula: | C26 H23 Cl F N3 O4 |
| Smiles: | CCCCc1ccc(cc1)C(NC(=C/c1ccc(cc1)F)\C(Nc1ccc(c(c1)[N+]([O-])=O)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.5482 |
| logD: | 5.0158 |
| logSw: | -6.4023 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.335 |
| InChI Key: | MBLDUHPJNABQOO-UHFFFAOYSA-N |