N-[1-(4-bromophenyl)-3-(4-nitroanilino)-3-oxoprop-1-en-2-yl]-4-butoxybenzamide
Chemical Structure Depiction of
N-[1-(4-bromophenyl)-3-(4-nitroanilino)-3-oxoprop-1-en-2-yl]-4-butoxybenzamide
N-[1-(4-bromophenyl)-3-(4-nitroanilino)-3-oxoprop-1-en-2-yl]-4-butoxybenzamide
Compound characteristics
| Compound ID: | 2447-2970 |
| Compound Name: | N-[1-(4-bromophenyl)-3-(4-nitroanilino)-3-oxoprop-1-en-2-yl]-4-butoxybenzamide |
| Molecular Weight: | 538.4 |
| Molecular Formula: | C26 H24 Br N3 O5 |
| Smiles: | CCCCOc1ccc(cc1)C(NC(=C/c1ccc(cc1)[Br])\C(Nc1ccc(cc1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.4671 |
| logD: | 6.1492 |
| logSw: | -5.668 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.053 |
| InChI Key: | ZWHFQADVNHSEHE-UHFFFAOYSA-N |