ethyl 2-[2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-[2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-[2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 1890-1178 |
| Compound Name: | ethyl 2-[2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 379.39 |
| Molecular Formula: | C15 H17 N5 O5 S |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(Cn1cnc(n1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4151 |
| logD: | 0.2964 |
| logSw: | -2.7402 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 100.252 |
| InChI Key: | LYXRVVHEUBTXBA-UHFFFAOYSA-N |