N-benzyl-2-(ethylsulfanyl)-4-nitrobenzamide
Chemical Structure Depiction of
N-benzyl-2-(ethylsulfanyl)-4-nitrobenzamide
N-benzyl-2-(ethylsulfanyl)-4-nitrobenzamide
Compound characteristics
| Compound ID: | 8012-7654 |
| Compound Name: | N-benzyl-2-(ethylsulfanyl)-4-nitrobenzamide |
| Molecular Weight: | 316.38 |
| Molecular Formula: | C16 H16 N2 O3 S |
| Smiles: | CCSc1cc(ccc1C(NCc1ccccc1)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.9798 |
| logD: | 3.9797 |
| logSw: | -4.1405 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.033 |
| InChI Key: | KKPUKKVYPDPZRO-UHFFFAOYSA-N |