N-[2-(4-methylbenzene-1-sulfonyl)-2-(thiophen-2-yl)ethyl]-3-nitrobenzamide
Chemical Structure Depiction of
N-[2-(4-methylbenzene-1-sulfonyl)-2-(thiophen-2-yl)ethyl]-3-nitrobenzamide
N-[2-(4-methylbenzene-1-sulfonyl)-2-(thiophen-2-yl)ethyl]-3-nitrobenzamide
Compound characteristics
| Compound ID: | G856-4361 |
| Compound Name: | N-[2-(4-methylbenzene-1-sulfonyl)-2-(thiophen-2-yl)ethyl]-3-nitrobenzamide |
| Molecular Weight: | 430.5 |
| Molecular Formula: | C20 H18 N2 O5 S2 |
| Smiles: | Cc1ccc(cc1)S(C(CNC(c1cccc(c1)[N+]([O-])=O)=O)c1cccs1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6729 |
| logD: | 3.6729 |
| logSw: | -3.8499 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.552 |
| InChI Key: | KCLKALGLJZZLGA-IBGZPJMESA-N |