N-[1-(4-bromophenyl)-3-(2-methoxy-4-nitroanilino)-3-oxoprop-1-en-2-yl]-4-butoxybenzamide
Chemical Structure Depiction of
N-[1-(4-bromophenyl)-3-(2-methoxy-4-nitroanilino)-3-oxoprop-1-en-2-yl]-4-butoxybenzamide
N-[1-(4-bromophenyl)-3-(2-methoxy-4-nitroanilino)-3-oxoprop-1-en-2-yl]-4-butoxybenzamide
Compound characteristics
| Compound ID: | 2447-2723 |
| Compound Name: | N-[1-(4-bromophenyl)-3-(2-methoxy-4-nitroanilino)-3-oxoprop-1-en-2-yl]-4-butoxybenzamide |
| Molecular Weight: | 568.42 |
| Molecular Formula: | C27 H26 Br N3 O6 |
| Smiles: | CCCCOc1ccc(cc1)C(NC(=C/c1ccc(cc1)[Br])\C(Nc1ccc(cc1OC)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.5551 |
| logD: | 5.0618 |
| logSw: | -5.5543 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.986 |
| InChI Key: | PROMOYPLERHJMD-UHFFFAOYSA-N |