2-[(2-nitrothiophen-3-yl)sulfanyl]-N-(3-phenylpropyl)acetamide
Chemical Structure Depiction of
2-[(2-nitrothiophen-3-yl)sulfanyl]-N-(3-phenylpropyl)acetamide
2-[(2-nitrothiophen-3-yl)sulfanyl]-N-(3-phenylpropyl)acetamide
Compound characteristics
| Compound ID: | C797-0012 |
| Compound Name: | 2-[(2-nitrothiophen-3-yl)sulfanyl]-N-(3-phenylpropyl)acetamide |
| Molecular Weight: | 336.43 |
| Molecular Formula: | C15 H16 N2 O3 S2 |
| Smiles: | C(Cc1ccccc1)CNC(CSc1ccsc1[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2705 |
| logD: | 3.2705 |
| logSw: | -3.5249 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.73 |
| InChI Key: | HKZXSTQCEMKXAT-UHFFFAOYSA-N |