2-[5-(3,4-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-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-1-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile
2-[5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-1-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile
Compound characteristics
| Compound ID: | 4073-0131 |
| Compound Name: | 2-[5-(3,4-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: | COc1ccc(cc1OC)c1ncnn1c1c(C#N)c2CCCCCc2s1 |
| Stereo: | ACHIRAL |
| logP: | 4.449 |
| logD: | 4.4488 |
| logSw: | -4.5517 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 58.468 |
| InChI Key: | DVWREJMIQSYVMO-UHFFFAOYSA-N |