N-{3-(butylamino)-1-[5-(3-nitrophenyl)furan-2-yl]-3-oxoprop-1-en-2-yl}-4-methylbenzamide
Chemical Structure Depiction of
N-{3-(butylamino)-1-[5-(3-nitrophenyl)furan-2-yl]-3-oxoprop-1-en-2-yl}-4-methylbenzamide
N-{3-(butylamino)-1-[5-(3-nitrophenyl)furan-2-yl]-3-oxoprop-1-en-2-yl}-4-methylbenzamide
Compound characteristics
| Compound ID: | Y070-0344 |
| Compound Name: | N-{3-(butylamino)-1-[5-(3-nitrophenyl)furan-2-yl]-3-oxoprop-1-en-2-yl}-4-methylbenzamide |
| Molecular Weight: | 447.49 |
| Molecular Formula: | C25 H25 N3 O5 |
| Smiles: | CCCCNC(/C(=C\c1ccc(c2cccc(c2)[N+]([O-])=O)o1)NC(c1ccc(C)cc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3364 |
| logD: | 4.9844 |
| logSw: | -5.1981 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.641 |
| InChI Key: | FJZQXSRKIHMMPW-UHFFFAOYSA-N |