N-[1-(4-bromophenyl)-3-(4-chloro-3-nitroanilino)-3-oxoprop-1-en-2-yl]-4-butoxybenzamide
Chemical Structure Depiction of
N-[1-(4-bromophenyl)-3-(4-chloro-3-nitroanilino)-3-oxoprop-1-en-2-yl]-4-butoxybenzamide
N-[1-(4-bromophenyl)-3-(4-chloro-3-nitroanilino)-3-oxoprop-1-en-2-yl]-4-butoxybenzamide
Compound characteristics
| Compound ID: | 2447-2972 |
| Compound Name: | N-[1-(4-bromophenyl)-3-(4-chloro-3-nitroanilino)-3-oxoprop-1-en-2-yl]-4-butoxybenzamide |
| Molecular Weight: | 572.84 |
| Molecular Formula: | C26 H23 Br Cl N3 O5 |
| Smiles: | CCCCOc1ccc(cc1)C(NC(=C/c1ccc(cc1)[Br])\C(Nc1ccc(c(c1)[N+]([O-])=O)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.8161 |
| logD: | 5.2837 |
| logSw: | -6.4956 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.753 |
| InChI Key: | MFJZXRWVDDOPLS-UHFFFAOYSA-N |