2-[5-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Chemical Structure Depiction of
2-[5-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
2-[5-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Compound characteristics
| Compound ID: | 4073-0157 |
| Compound Name: | 2-[5-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile |
| Molecular Weight: | 396.47 |
| Molecular Formula: | C20 H20 N4 O3 S |
| Smiles: | COc1cc(cc(c1OC)OC)c1ncnn1c1c(C#N)c2CCCCc2s1 |
| Stereo: | ACHIRAL |
| logP: | 3.813 |
| logD: | 3.8062 |
| logSw: | -4.2409 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 65.854 |
| InChI Key: | STWWSHPGVSRMRG-UHFFFAOYSA-N |