N-benzyl-2-[(2-hydroxyethyl)sulfanyl]-4-nitrobenzamide
Chemical Structure Depiction of
N-benzyl-2-[(2-hydroxyethyl)sulfanyl]-4-nitrobenzamide
N-benzyl-2-[(2-hydroxyethyl)sulfanyl]-4-nitrobenzamide
Compound characteristics
| Compound ID: | 8012-7653 |
| Compound Name: | N-benzyl-2-[(2-hydroxyethyl)sulfanyl]-4-nitrobenzamide |
| Molecular Weight: | 332.38 |
| Molecular Formula: | C16 H16 N2 O4 S |
| Smiles: | C(c1ccccc1)NC(c1ccc(cc1SCCO)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7239 |
| logD: | 2.7238 |
| logSw: | -3.5078 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.689 |
| InChI Key: | BUVXJRQEVDLZLM-UHFFFAOYSA-N |