N-(1-hydroxy-2-methylpropan-2-yl)-2-methyl-3-nitrobenzamide
Chemical Structure Depiction of
N-(1-hydroxy-2-methylpropan-2-yl)-2-methyl-3-nitrobenzamide
N-(1-hydroxy-2-methylpropan-2-yl)-2-methyl-3-nitrobenzamide
Compound characteristics
| Compound ID: | Y020-5399 |
| Compound Name: | N-(1-hydroxy-2-methylpropan-2-yl)-2-methyl-3-nitrobenzamide |
| Molecular Weight: | 252.27 |
| Molecular Formula: | C12 H16 N2 O4 |
| Smiles: | Cc1c(cccc1[N+]([O-])=O)C(NC(C)(C)CO)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5144 |
| logD: | 1.5144 |
| logSw: | -2.3187 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.41 |
| InChI Key: | RFZSIMYPOXRICG-UHFFFAOYSA-N |