2-[5-(4-methylphenyl)-1H-1,2,4-triazol-1-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile
Chemical Structure Depiction of
2-[5-(4-methylphenyl)-1H-1,2,4-triazol-1-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile
2-[5-(4-methylphenyl)-1H-1,2,4-triazol-1-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile
Compound characteristics
| Compound ID: | 4073-0128 |
| Compound Name: | 2-[5-(4-methylphenyl)-1H-1,2,4-triazol-1-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile |
| Molecular Weight: | 334.44 |
| Molecular Formula: | C19 H18 N4 S |
| Smiles: | Cc1ccc(cc1)c1ncnn1c1c(C#N)c2CCCCCc2s1 |
| Stereo: | ACHIRAL |
| logP: | 5.2499 |
| logD: | 5.2499 |
| logSw: | -5.1555 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 43.207 |
| InChI Key: | KTSIWVIGNSOLTH-UHFFFAOYSA-N |