2-[(4-{[1-(3,5-dimethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)methyl]benzonitrile
Chemical Structure Depiction of
2-[(4-{[1-(3,5-dimethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)methyl]benzonitrile
2-[(4-{[1-(3,5-dimethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)methyl]benzonitrile
Compound characteristics
| Compound ID: | 2368-0072 |
| Compound Name: | 2-[(4-{[1-(3,5-dimethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)methyl]benzonitrile |
| Molecular Weight: | 451.48 |
| Molecular Formula: | C27 H21 N3 O4 |
| Smiles: | Cc1cc(C)cc(c1)N1C(C(=C\c2ccc(cc2)OCc2ccccc2C#N)\C(NC1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.429 |
| logD: | 4.4134 |
| logSw: | -4.3713 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.674 |
| InChI Key: | PEAOWOZGMWONEX-UHFFFAOYSA-N |