2-[(2-ethoxy-4-{[2,4,6-trioxo-1-(prop-2-en-1-yl)-1,3-diazinan-5-ylidene]methyl}phenoxy)methyl]benzonitrile
Chemical Structure Depiction of
2-[(2-ethoxy-4-{[2,4,6-trioxo-1-(prop-2-en-1-yl)-1,3-diazinan-5-ylidene]methyl}phenoxy)methyl]benzonitrile
2-[(2-ethoxy-4-{[2,4,6-trioxo-1-(prop-2-en-1-yl)-1,3-diazinan-5-ylidene]methyl}phenoxy)methyl]benzonitrile
Compound characteristics
| Compound ID: | 3358-3586 |
| Compound Name: | 2-[(2-ethoxy-4-{[2,4,6-trioxo-1-(prop-2-en-1-yl)-1,3-diazinan-5-ylidene]methyl}phenoxy)methyl]benzonitrile |
| Molecular Weight: | 431.45 |
| Molecular Formula: | C24 H21 N3 O5 |
| Smiles: | CCOc1cc(/C=C2/C(NC(N(CC=C)C2=O)=O)=O)ccc1OCc1ccccc1C#N |
| Stereo: | ACHIRAL |
| logP: | 2.6681 |
| logD: | 2.6155 |
| logSw: | -3.3711 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.833 |
| InChI Key: | KTTODGXGLYDOQG-UHFFFAOYSA-N |