2-[(2-bromo-4-{[1-(4-chlorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)methyl]benzonitrile
Chemical Structure Depiction of
2-[(2-bromo-4-{[1-(4-chlorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)methyl]benzonitrile
2-[(2-bromo-4-{[1-(4-chlorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)methyl]benzonitrile
Compound characteristics
| Compound ID: | 2368-0247 |
| Compound Name: | 2-[(2-bromo-4-{[1-(4-chlorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)methyl]benzonitrile |
| Molecular Weight: | 536.77 |
| Molecular Formula: | C25 H15 Br Cl N3 O4 |
| Smiles: | C(c1ccccc1C#N)Oc1ccc(\C=C2/C(NC(N(C2=O)c2ccc(cc2)[Cl])=O)=O)cc1[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.4909 |
| logD: | 4.1879 |
| logSw: | -4.8861 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.761 |
| InChI Key: | MCGQYBRIEPGSIE-UHFFFAOYSA-N |