4-methoxy-N-[3-{[2-(2-methyl-1H-indol-3-yl)ethyl]amino}-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
Chemical Structure Depiction of
4-methoxy-N-[3-{[2-(2-methyl-1H-indol-3-yl)ethyl]amino}-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
4-methoxy-N-[3-{[2-(2-methyl-1H-indol-3-yl)ethyl]amino}-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
Compound characteristics
| Compound ID: | 8012-8927 |
| Compound Name: | 4-methoxy-N-[3-{[2-(2-methyl-1H-indol-3-yl)ethyl]amino}-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide |
| Molecular Weight: | 498.54 |
| Molecular Formula: | C28 H26 N4 O5 |
| Smiles: | Cc1c(CCNC(/C(=C/c2cccc(c2)[N+]([O-])=O)NC(c2ccc(cc2)OC)=O)=O)c2ccccc2[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 4.1906 |
| logD: | 3.2831 |
| logSw: | -4.531 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 97.269 |
| InChI Key: | QKJLKMGHTXTEQI-UHFFFAOYSA-N |