N-[1-(2H-1,3-benzodioxol-5-yl)-3-{[2-(2-methyl-1H-indol-3-yl)ethyl]amino}-3-oxoprop-1-en-2-yl]-3-nitrobenzamide
Chemical Structure Depiction of
N-[1-(2H-1,3-benzodioxol-5-yl)-3-{[2-(2-methyl-1H-indol-3-yl)ethyl]amino}-3-oxoprop-1-en-2-yl]-3-nitrobenzamide
N-[1-(2H-1,3-benzodioxol-5-yl)-3-{[2-(2-methyl-1H-indol-3-yl)ethyl]amino}-3-oxoprop-1-en-2-yl]-3-nitrobenzamide
Compound characteristics
| Compound ID: | 8015-0163 |
| Compound Name: | N-[1-(2H-1,3-benzodioxol-5-yl)-3-{[2-(2-methyl-1H-indol-3-yl)ethyl]amino}-3-oxoprop-1-en-2-yl]-3-nitrobenzamide |
| Molecular Weight: | 512.52 |
| Molecular Formula: | C28 H24 N4 O6 |
| Smiles: | Cc1c(CCNC(/C(=C/c2ccc3c(c2)OCO3)NC(c2cccc(c2)[N+]([O-])=O)=O)=O)c2ccccc2[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 4.2425 |
| logD: | 2.4191 |
| logSw: | -4.5364 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 106.841 |
| InChI Key: | DNWQQEPLGRYLOE-UHFFFAOYSA-N |