N-[1-(4-methoxyphenyl)-3-{[2-(2-methyl-1H-indol-3-yl)ethyl]amino}-3-oxoprop-1-en-2-yl]-3-nitrobenzamide
Chemical Structure Depiction of
N-[1-(4-methoxyphenyl)-3-{[2-(2-methyl-1H-indol-3-yl)ethyl]amino}-3-oxoprop-1-en-2-yl]-3-nitrobenzamide
N-[1-(4-methoxyphenyl)-3-{[2-(2-methyl-1H-indol-3-yl)ethyl]amino}-3-oxoprop-1-en-2-yl]-3-nitrobenzamide
Compound characteristics
| Compound ID: | 8012-9131 |
| Compound Name: | N-[1-(4-methoxyphenyl)-3-{[2-(2-methyl-1H-indol-3-yl)ethyl]amino}-3-oxoprop-1-en-2-yl]-3-nitrobenzamide |
| Molecular Weight: | 498.54 |
| Molecular Formula: | C28 H26 N4 O5 |
| Smiles: | Cc1c(CCNC(/C(=C/c2ccc(cc2)OC)NC(c2cccc(c2)[N+]([O-])=O)=O)=O)c2ccccc2[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 4.3281 |
| logD: | 2.204 |
| logSw: | -4.575 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 97.269 |
| InChI Key: | KTRSHKSXKBOTSG-UHFFFAOYSA-N |