2-[(4-{[1-(4-fluorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-2-methoxyphenoxy)methyl]benzonitrile
Chemical Structure Depiction of
2-[(4-{[1-(4-fluorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-2-methoxyphenoxy)methyl]benzonitrile
2-[(4-{[1-(4-fluorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-2-methoxyphenoxy)methyl]benzonitrile
Compound characteristics
| Compound ID: | 3288-0504 |
| Compound Name: | 2-[(4-{[1-(4-fluorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-2-methoxyphenoxy)methyl]benzonitrile |
| Molecular Weight: | 471.44 |
| Molecular Formula: | C26 H18 F N3 O5 |
| Smiles: | COc1cc(\C=C2/C(NC(N(C2=O)c2ccc(cc2)F)=O)=O)ccc1OCc1ccccc1C#N |
| Stereo: | ACHIRAL |
| logP: | 3.148 |
| logD: | 2.845 |
| logSw: | -3.6058 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.392 |
| InChI Key: | HBVAFYZQJJGYPV-UHFFFAOYSA-N |