N-{3-cyano-1-[(4-methoxyphenyl)methyl]-4,5-diphenyl-1H-pyrrol-2-yl}-3-nitrobenzamide
Chemical Structure Depiction of
N-{3-cyano-1-[(4-methoxyphenyl)methyl]-4,5-diphenyl-1H-pyrrol-2-yl}-3-nitrobenzamide
N-{3-cyano-1-[(4-methoxyphenyl)methyl]-4,5-diphenyl-1H-pyrrol-2-yl}-3-nitrobenzamide
Compound characteristics
| Compound ID: | 5991-0763 |
| Compound Name: | N-{3-cyano-1-[(4-methoxyphenyl)methyl]-4,5-diphenyl-1H-pyrrol-2-yl}-3-nitrobenzamide |
| Molecular Weight: | 528.57 |
| Molecular Formula: | C32 H24 N4 O4 |
| Smiles: | COc1ccc(Cn2c(c3ccccc3)c(c3ccccc3)c(C#N)c2NC(c2cccc(c2)[N+]([O-])=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.6494 |
| logD: | 6.6492 |
| logSw: | -5.742 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.167 |
| InChI Key: | YYUMDXOVTSSVSR-UHFFFAOYSA-N |