3-bromo-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
3-bromo-N-[3-{[2-(2-methyl-1H-indol-3-yl)ethyl]amino}-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
3-bromo-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: | 8012-8944 |
| Compound Name: | 3-bromo-N-[3-{[2-(2-methyl-1H-indol-3-yl)ethyl]amino}-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide |
| Molecular Weight: | 547.41 |
| Molecular Formula: | C27 H23 Br N4 O4 |
| Smiles: | Cc1c(CCNC(/C(=C/c2cccc(c2)[N+]([O-])=O)NC(c2cccc(c2)[Br])=O)=O)c2ccccc2[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 5.0571 |
| logD: | 3.0007 |
| logSw: | -4.9359 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 89.725 |
| InChI Key: | FFPDGWFVGIOYHU-UHFFFAOYSA-N |