N-[3-(tert-butylamino)-3-oxo-1-phenylprop-1-en-2-yl]-4-nitrobenzamide
Chemical Structure Depiction of
N-[3-(tert-butylamino)-3-oxo-1-phenylprop-1-en-2-yl]-4-nitrobenzamide
N-[3-(tert-butylamino)-3-oxo-1-phenylprop-1-en-2-yl]-4-nitrobenzamide
Compound characteristics
| Compound ID: | 1502-1341 |
| Compound Name: | N-[3-(tert-butylamino)-3-oxo-1-phenylprop-1-en-2-yl]-4-nitrobenzamide |
| Molecular Weight: | 367.4 |
| Molecular Formula: | C20 H21 N3 O4 |
| Smiles: | CC(C)(C)NC(/C(=C\c1ccccc1)NC(c1ccc(cc1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6439 |
| logD: | 2.4796 |
| logSw: | -3.9108 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.053 |
| InChI Key: | XWOBXGQPBHJMJO-UHFFFAOYSA-N |