N-[1-(4-bromophenyl)-3-(3-chloro-4-methylanilino)-3-oxoprop-1-en-2-yl]-4-butoxybenzamide
Chemical Structure Depiction of
N-[1-(4-bromophenyl)-3-(3-chloro-4-methylanilino)-3-oxoprop-1-en-2-yl]-4-butoxybenzamide
N-[1-(4-bromophenyl)-3-(3-chloro-4-methylanilino)-3-oxoprop-1-en-2-yl]-4-butoxybenzamide
Compound characteristics
| Compound ID: | 2447-2982 |
| Compound Name: | N-[1-(4-bromophenyl)-3-(3-chloro-4-methylanilino)-3-oxoprop-1-en-2-yl]-4-butoxybenzamide |
| Molecular Weight: | 541.87 |
| Molecular Formula: | C27 H26 Br Cl N2 O3 |
| Smiles: | CCCCOc1ccc(cc1)C(NC(=C/c1ccc(cc1)[Br])\C(Nc1ccc(C)c(c1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 7.9316 |
| logD: | 7.8719 |
| logSw: | -6.5717 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 52.672 |
| InChI Key: | DYRQUVNLMANFLC-UHFFFAOYSA-N |