2-[5-(2,3-dimethoxyphenyl)-1H-1,2,4-triazol-1-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile
Chemical Structure Depiction of
2-[5-(2,3-dimethoxyphenyl)-1H-1,2,4-triazol-1-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile
2-[5-(2,3-dimethoxyphenyl)-1H-1,2,4-triazol-1-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile
Compound characteristics
Compound ID: | 4073-0125 |
Compound Name: | 2-[5-(2,3-dimethoxyphenyl)-1H-1,2,4-triazol-1-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile |
Molecular Weight: | 380.47 |
Molecular Formula: | C20 H20 N4 O2 S |
Smiles: | COc1cccc(c1OC)c1ncnn1c1c(C#N)c2CCCCCc2s1 |
Stereo: | ACHIRAL |
logP: | 4.4519 |
logD: | 4.4515 |
logSw: | -4.6374 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 58.554 |
InChI Key: | ABYGQXTWSDNUSM-UHFFFAOYSA-N |