2-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Chemical Structure Depiction of
2-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
2-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Compound characteristics
Compound ID: | 4073-0146 |
Compound Name: | 2-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile |
Molecular Weight: | 336.41 |
Molecular Formula: | C18 H16 N4 O S |
Smiles: | COc1ccc(cc1)c1ncnn1c1c(C#N)c2CCCCc2s1 |
Stereo: | ACHIRAL |
logP: | 4.313 |
logD: | 4.313 |
logSw: | -4.495 |
Hydrogen bond acceptors count: | 4 |
Polar surface area: | 50.42 |
InChI Key: | GVRDXTJPIROCLJ-UHFFFAOYSA-N |