4-butoxy-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-butoxy-N-[3-{[2-(2-methyl-1H-indol-3-yl)ethyl]amino}-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
4-butoxy-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: | 8012-9130 |
| Compound Name: | 4-butoxy-N-[3-{[2-(2-methyl-1H-indol-3-yl)ethyl]amino}-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide |
| Molecular Weight: | 540.62 |
| Molecular Formula: | C31 H32 N4 O5 |
| Smiles: | CCCCOc1ccc(cc1)C(NC(=C/c1cccc(c1)[N+]([O-])=O)\C(NCCc1c2ccccc2[nH]c1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6405 |
| logD: | 4.733 |
| logSw: | -5.6091 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 97.143 |
| InChI Key: | HDXUQCFMNSMOLE-UHFFFAOYSA-N |