N-(3-{3-[(2-cyanophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-2-methylbenzamide
Chemical Structure Depiction of
N-(3-{3-[(2-cyanophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-2-methylbenzamide
N-(3-{3-[(2-cyanophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-2-methylbenzamide
Compound characteristics
| Compound ID: | V020-0120 |
| Compound Name: | N-(3-{3-[(2-cyanophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-2-methylbenzamide |
| Molecular Weight: | 424.5 |
| Molecular Formula: | C26 H24 N4 O2 |
| Smiles: | Cc1ccccc1C(Nc1cccc(c1)N1CCCN(Cc2ccccc2C#N)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.629 |
| logD: | 4.6273 |
| logSw: | -4.331 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.944 |
| InChI Key: | VYOZXZCKGPIGRX-UHFFFAOYSA-N |