2-[5-(4-ethoxyphenyl)-1H-1,2,4-triazol-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Chemical Structure Depiction of
2-[5-(4-ethoxyphenyl)-1H-1,2,4-triazol-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
2-[5-(4-ethoxyphenyl)-1H-1,2,4-triazol-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Compound characteristics
| Compound ID: | 4073-0154 |
| Compound Name: | 2-[5-(4-ethoxyphenyl)-1H-1,2,4-triazol-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile |
| Molecular Weight: | 350.44 |
| Molecular Formula: | C19 H18 N4 O S |
| Smiles: | CCOc1ccc(cc1)c1ncnn1c1c(C#N)c2CCCCc2s1 |
| Stereo: | ACHIRAL |
| logP: | 4.6996 |
| logD: | 4.6996 |
| logSw: | -4.4887 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 49.999 |
| InChI Key: | FEUXSATWMSWPKT-UHFFFAOYSA-N |