N-(4-{3-[(3-cyanophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-3-methylbenzamide
Chemical Structure Depiction of
N-(4-{3-[(3-cyanophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-3-methylbenzamide
N-(4-{3-[(3-cyanophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-3-methylbenzamide
Compound characteristics
| Compound ID: | V019-7467 |
| Compound Name: | N-(4-{3-[(3-cyanophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-3-methylbenzamide |
| Molecular Weight: | 424.5 |
| Molecular Formula: | C26 H24 N4 O2 |
| Smiles: | Cc1cccc(c1)C(Nc1ccc(cc1)N1CCCN(Cc2cccc(C#N)c2)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1936 |
| logD: | 4.1932 |
| logSw: | -4.2538 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.944 |
| InChI Key: | PAIQGAQKKLLJML-UHFFFAOYSA-N |