2-[benzyl(phenyl)amino]-N-(4-methoxyphenyl)-2-(6-nitro-2H-1,3-benzodioxol-5-yl)acetamide
Chemical Structure Depiction of
2-[benzyl(phenyl)amino]-N-(4-methoxyphenyl)-2-(6-nitro-2H-1,3-benzodioxol-5-yl)acetamide
2-[benzyl(phenyl)amino]-N-(4-methoxyphenyl)-2-(6-nitro-2H-1,3-benzodioxol-5-yl)acetamide
Compound characteristics
| Compound ID: | C094-0140 |
| Compound Name: | 2-[benzyl(phenyl)amino]-N-(4-methoxyphenyl)-2-(6-nitro-2H-1,3-benzodioxol-5-yl)acetamide |
| Molecular Weight: | 511.53 |
| Molecular Formula: | C29 H25 N3 O6 |
| Smiles: | COc1ccc(cc1)NC(C(c1cc2c(cc1[N+]([O-])=O)OCO2)N(Cc1ccccc1)c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.636 |
| logD: | 5.636 |
| logSw: | -5.4352 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.797 |
| InChI Key: | YOPRBCPQUHEFCK-MUUNZHRXSA-N |