2-[(4-{3-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}phenoxy)methyl]benzonitrile
Chemical Structure Depiction of
2-[(4-{3-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}phenoxy)methyl]benzonitrile
2-[(4-{3-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}phenoxy)methyl]benzonitrile
Compound characteristics
| Compound ID: | 4299-0709 |
| Compound Name: | 2-[(4-{3-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}phenoxy)methyl]benzonitrile |
| Molecular Weight: | 458.52 |
| Molecular Formula: | C30 H22 N2 O3 |
| Smiles: | Cc1cc(C=C2C(c3ccccc3C2=O)=O)c(C)n1c1ccc(cc1)OCc1ccccc1C#N |
| Stereo: | ACHIRAL |
| logP: | 5.1772 |
| logD: | 5.1772 |
| logSw: | -5.0579 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 53.495 |
| InChI Key: | DMVBKZOFEZQCEQ-UHFFFAOYSA-N |