N-(2-{3-[(3-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-5-methoxyphenyl)-4-methyl-3-nitrobenzamide
Chemical Structure Depiction of
N-(2-{3-[(3-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-5-methoxyphenyl)-4-methyl-3-nitrobenzamide
N-(2-{3-[(3-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-5-methoxyphenyl)-4-methyl-3-nitrobenzamide
Compound characteristics
| Compound ID: | V020-1705 |
| Compound Name: | N-(2-{3-[(3-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-5-methoxyphenyl)-4-methyl-3-nitrobenzamide |
| Molecular Weight: | 508.96 |
| Molecular Formula: | C26 H25 Cl N4 O5 |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1[N+]([O-])=O)C(Nc1cc(ccc1N1CCCN(Cc2cccc(c2)[Cl])C1=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4895 |
| logD: | 5.0356 |
| logSw: | -5.8778 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.514 |
| InChI Key: | HKHLTMXXKUOCFC-UHFFFAOYSA-N |