N-[3-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)phenyl]-N-[(4-methylphenyl)methyl]-4-nitrobenzamide
Chemical Structure Depiction of
N-[3-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)phenyl]-N-[(4-methylphenyl)methyl]-4-nitrobenzamide
N-[3-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)phenyl]-N-[(4-methylphenyl)methyl]-4-nitrobenzamide
Compound characteristics
| Compound ID: | V012-5554 |
| Compound Name: | N-[3-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)phenyl]-N-[(4-methylphenyl)methyl]-4-nitrobenzamide |
| Molecular Weight: | 537.57 |
| Molecular Formula: | C31 H27 N3 O6 |
| Smiles: | Cc1ccc(CN(C(c2ccc(cc2)[N+]([O-])=O)=O)c2cccc(CC(NCc3ccc4c(c3)OCO4)=O)c2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.4015 |
| logD: | 5.4015 |
| logSw: | -5.3889 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.286 |
| InChI Key: | ZSEPNBZAGUMTHE-UHFFFAOYSA-N |