3-[(3,5-dimethyl-2,4,6-trioxo-1,3,5-triazinan-1-yl)methyl]benzonitrile
Chemical Structure Depiction of
3-[(3,5-dimethyl-2,4,6-trioxo-1,3,5-triazinan-1-yl)methyl]benzonitrile
3-[(3,5-dimethyl-2,4,6-trioxo-1,3,5-triazinan-1-yl)methyl]benzonitrile
Compound characteristics
| Compound ID: | 8019-8962 |
| Compound Name: | 3-[(3,5-dimethyl-2,4,6-trioxo-1,3,5-triazinan-1-yl)methyl]benzonitrile |
| Molecular Weight: | 272.26 |
| Molecular Formula: | C13 H12 N4 O3 |
| Smiles: | CN1C(N(C)C(N(Cc2cccc(C#N)c2)C1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3371 |
| logD: | 1.3371 |
| logSw: | -1.759 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 65.338 |
| InChI Key: | MEWFOJNGHZTBJP-UHFFFAOYSA-N |