ethyl 6-methyl-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 6-methyl-2-[2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 6-methyl-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: | K061-0698 |
| Compound Name: | ethyl 6-methyl-2-[2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 393.42 |
| Molecular Formula: | C16 H19 N5 O5 S |
| Smiles: | CCOC(c1c2CCC(C)Cc2sc1NC(Cn1cnc(n1)[N+]([O-])=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8491 |
| logD: | 0.7304 |
| logSw: | -3.3299 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 100.252 |
| InChI Key: | FQBZLPDNTSBTND-SECBINFHSA-N |