N-[1-(tert-butylamino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]-4-nitrobenzamide
Chemical Structure Depiction of
N-[1-(tert-butylamino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]-4-nitrobenzamide
N-[1-(tert-butylamino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]-4-nitrobenzamide
Compound characteristics
| Compound ID: | 1502-1395 |
| Compound Name: | N-[1-(tert-butylamino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]-4-nitrobenzamide |
| Molecular Weight: | 393.44 |
| Molecular Formula: | C22 H23 N3 O4 |
| Smiles: | CC(C)(C)NC(/C(=C\C=C\c1ccccc1)NC(c1ccc(cc1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4987 |
| logD: | 3.2247 |
| logSw: | -4.3664 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.053 |
| InChI Key: | KLJUMRRTURTMGG-UHFFFAOYSA-N |