4-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-N-(3-methylphenyl)-3-nitrobenzamide
Chemical Structure Depiction of
4-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-N-(3-methylphenyl)-3-nitrobenzamide
4-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-N-(3-methylphenyl)-3-nitrobenzamide
Compound characteristics
| Compound ID: | K781-7096 |
| Compound Name: | 4-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-N-(3-methylphenyl)-3-nitrobenzamide |
| Molecular Weight: | 405.41 |
| Molecular Formula: | C22 H19 N3 O5 |
| Smiles: | Cc1cccc(c1)NC(c1ccc(c(c1)[N+]([O-])=O)NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.489 |
| logD: | 4.4881 |
| logSw: | -4.4211 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.062 |
| InChI Key: | NFLHFCVEHLKXAD-UHFFFAOYSA-N |