(4-{[1-(3,5-dimethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)acetonitrile
Chemical Structure Depiction of
(4-{[1-(3,5-dimethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)acetonitrile
(4-{[1-(3,5-dimethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)acetonitrile
Compound characteristics
| Compound ID: | 4489-8315 |
| Compound Name: | (4-{[1-(3,5-dimethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)acetonitrile |
| Molecular Weight: | 375.38 |
| Molecular Formula: | C21 H17 N3 O4 |
| Smiles: | Cc1cc(C)cc(c1)N1C(C(=C/c2ccc(cc2)OCC#N)\C(NC1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7592 |
| logD: | 2.7435 |
| logSw: | -3.1667 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.3 |
| InChI Key: | VIMLRVVPCOARQB-UHFFFAOYSA-N |