2-(4-bromophenyl)-3-[2,5-dimethyl-1-(4-nitrophenyl)-1H-pyrrol-3-yl]prop-2-enenitrile
Chemical Structure Depiction of
2-(4-bromophenyl)-3-[2,5-dimethyl-1-(4-nitrophenyl)-1H-pyrrol-3-yl]prop-2-enenitrile
2-(4-bromophenyl)-3-[2,5-dimethyl-1-(4-nitrophenyl)-1H-pyrrol-3-yl]prop-2-enenitrile
Compound characteristics
| Compound ID: | 8009-0785 |
| Compound Name: | 2-(4-bromophenyl)-3-[2,5-dimethyl-1-(4-nitrophenyl)-1H-pyrrol-3-yl]prop-2-enenitrile |
| Molecular Weight: | 422.28 |
| Molecular Formula: | C21 H16 Br N3 O2 |
| Smiles: | Cc1cc(\C=C(C#N)/c2ccc(cc2)[Br])c(C)n1c1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.4656 |
| logD: | 5.4656 |
| logSw: | -5.5711 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 53.069 |
| InChI Key: | NOEHJYIEGBAGNB-UHFFFAOYSA-N |