2-[(4-{[1-(4-chlorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)methyl]benzonitrile
Chemical Structure Depiction of
2-[(4-{[1-(4-chlorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)methyl]benzonitrile
2-[(4-{[1-(4-chlorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)methyl]benzonitrile
Compound characteristics
| Compound ID: | 2368-0244 |
| Compound Name: | 2-[(4-{[1-(4-chlorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)methyl]benzonitrile |
| Molecular Weight: | 457.87 |
| Molecular Formula: | C25 H16 Cl N3 O4 |
| Smiles: | C(c1ccccc1C#N)Oc1ccc(\C=C2/C(NC(N(C2=O)c2ccc(cc2)[Cl])=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.9885 |
| logD: | 3.6854 |
| logSw: | -4.8218 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.674 |
| InChI Key: | ZACFJUMKRQMURU-UHFFFAOYSA-N |