N-(3-{3-[(2-cyanophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-4-methyl-3-nitrobenzamide
Chemical Structure Depiction of
N-(3-{3-[(2-cyanophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-4-methyl-3-nitrobenzamide
N-(3-{3-[(2-cyanophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-4-methyl-3-nitrobenzamide
Compound characteristics
| Compound ID: | V029-0401 |
| Compound Name: | N-(3-{3-[(2-cyanophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-4-methyl-3-nitrobenzamide |
| Molecular Weight: | 469.5 |
| Molecular Formula: | C26 H23 N5 O4 |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1[N+]([O-])=O)C(Nc1cccc(c1)N1CCCN(Cc2ccccc2C#N)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7583 |
| logD: | 4.7497 |
| logSw: | -4.467 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.025 |
| InChI Key: | HWOBUBCYPVTNKR-UHFFFAOYSA-N |