5-bromo-N-[3-(cyclohexylamino)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide
Chemical Structure Depiction of
5-bromo-N-[3-(cyclohexylamino)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide
5-bromo-N-[3-(cyclohexylamino)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide
Compound characteristics
| Compound ID: | 2681-3562 |
| Compound Name: | 5-bromo-N-[3-(cyclohexylamino)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide |
| Molecular Weight: | 502.36 |
| Molecular Formula: | C23 H24 Br N3 O5 |
| Smiles: | COc1ccc(cc1C(NC(=C/c1ccc(cc1)[N+]([O-])=O)\C(NC1CCCCC1)=O)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 5.0016 |
| logD: | 1.8375 |
| logSw: | -4.7135 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.313 |
| InChI Key: | PGWRMUHEFRNQLA-UHFFFAOYSA-N |