N-(4-{3-[(3-cyanophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-4-methyl-3-nitrobenzamide
Chemical Structure Depiction of
N-(4-{3-[(3-cyanophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-4-methyl-3-nitrobenzamide
N-(4-{3-[(3-cyanophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-4-methyl-3-nitrobenzamide
Compound characteristics
| Compound ID: | V027-6100 |
| Compound Name: | N-(4-{3-[(3-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(Nc1ccc(cc1)N1CCCN(Cc2cccc(C#N)c2)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1707 |
| logD: | 4.1688 |
| logSw: | -4.3507 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.025 |
| InChI Key: | IRERWEINMIKKMX-UHFFFAOYSA-N |