4-methyl-N-(4-{3-[(3-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-3-nitrobenzamide
Chemical Structure Depiction of
4-methyl-N-(4-{3-[(3-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-3-nitrobenzamide
4-methyl-N-(4-{3-[(3-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-3-nitrobenzamide
Compound characteristics
| Compound ID: | V026-8334 |
| Compound Name: | 4-methyl-N-(4-{3-[(3-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-3-nitrobenzamide |
| Molecular Weight: | 458.52 |
| Molecular Formula: | C26 H26 N4 O4 |
| Salt: | not_available |
| Smiles: | Cc1cccc(CN2CCCN(C2=O)c2ccc(cc2)NC(c2ccc(C)c(c2)[N+]([O-])=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.2428 |
| logD: | 5.2409 |
| logSw: | -5.0772 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.969 |
| InChI Key: | FLBDGBIWZOUNNT-UHFFFAOYSA-N |