ethyl 2-[4-(3-nitro-1H-1,2,4-triazol-1-yl)butanamido]-4-phenylthiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-[4-(3-nitro-1H-1,2,4-triazol-1-yl)butanamido]-4-phenylthiophene-3-carboxylate
ethyl 2-[4-(3-nitro-1H-1,2,4-triazol-1-yl)butanamido]-4-phenylthiophene-3-carboxylate
Compound characteristics
| Compound ID: | C163-0499 |
| Compound Name: | ethyl 2-[4-(3-nitro-1H-1,2,4-triazol-1-yl)butanamido]-4-phenylthiophene-3-carboxylate |
| Molecular Weight: | 429.45 |
| Molecular Formula: | C19 H19 N5 O5 S |
| Smiles: | CCOC(c1c(csc1NC(CCCn1cnc(n1)[N+]([O-])=O)=O)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1896 |
| logD: | 2.1286 |
| logSw: | -3.0409 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 100.039 |
| InChI Key: | WOATVDNISYGICZ-UHFFFAOYSA-N |