N-{3-(tert-butylamino)-1-[5-(3-nitrophenyl)furan-2-yl]-3-oxoprop-1-en-2-yl}benzamide
Chemical Structure Depiction of
N-{3-(tert-butylamino)-1-[5-(3-nitrophenyl)furan-2-yl]-3-oxoprop-1-en-2-yl}benzamide
N-{3-(tert-butylamino)-1-[5-(3-nitrophenyl)furan-2-yl]-3-oxoprop-1-en-2-yl}benzamide
Compound characteristics
| Compound ID: | Y070-0336 |
| Compound Name: | N-{3-(tert-butylamino)-1-[5-(3-nitrophenyl)furan-2-yl]-3-oxoprop-1-en-2-yl}benzamide |
| Molecular Weight: | 433.46 |
| Molecular Formula: | C24 H23 N3 O5 |
| Smiles: | CC(C)(C)NC(/C(=C\c1ccc(c2cccc(c2)[N+]([O-])=O)o1)NC(c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7613 |
| logD: | 4.4803 |
| logSw: | -4.6323 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.623 |
| InChI Key: | KDJQICWLBJZQSU-UHFFFAOYSA-N |