ethyl 3-{2-[(2-nitrothiophen-3-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
ethyl 3-{2-[(2-nitrothiophen-3-yl)sulfanyl]acetamido}benzoate
ethyl 3-{2-[(2-nitrothiophen-3-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | C797-0061 |
| Compound Name: | ethyl 3-{2-[(2-nitrothiophen-3-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 366.41 |
| Molecular Formula: | C15 H14 N2 O5 S2 |
| Smiles: | CCOC(c1cccc(c1)NC(CSc1ccsc1[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.62 |
| logD: | 3.6199 |
| logSw: | -3.7617 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.32 |
| InChI Key: | GZBLRUKTJWHZCI-UHFFFAOYSA-N |