2-[(2-ethoxy-4-{[1-(4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)methyl]benzonitrile
Chemical Structure Depiction of
2-[(2-ethoxy-4-{[1-(4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)methyl]benzonitrile
2-[(2-ethoxy-4-{[1-(4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)methyl]benzonitrile
Compound characteristics
| Compound ID: | 3288-0367 |
| Compound Name: | 2-[(2-ethoxy-4-{[1-(4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)methyl]benzonitrile |
| Molecular Weight: | 481.51 |
| Molecular Formula: | C28 H23 N3 O5 |
| Smiles: | CCOc1cc(\C=C2/C(NC(N(C2=O)c2ccc(C)cc2)=O)=O)ccc1OCc1ccccc1C#N |
| Stereo: | ACHIRAL |
| logP: | 3.688 |
| logD: | 3.3849 |
| logSw: | -3.9372 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.971 |
| InChI Key: | CGZOZRXUAXDFMP-UHFFFAOYSA-N |