2-{5-[4-(benzyloxy)-3-methoxyphenyl]-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-(benzyloxy)-3-methoxyphenyl]-1H-1,2,4-triazol-1-yl}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile
2-{5-[4-(benzyloxy)-3-methoxyphenyl]-1H-1,2,4-triazol-1-yl}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile
Compound characteristics
| Compound ID: | 4073-0138 |
| Compound Name: | 2-{5-[4-(benzyloxy)-3-methoxyphenyl]-1H-1,2,4-triazol-1-yl}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile |
| Molecular Weight: | 456.57 |
| Molecular Formula: | C26 H24 N4 O2 S |
| Smiles: | COc1cc(ccc1OCc1ccccc1)c1ncnn1c1c(C#N)c2CCCCCc2s1 |
| Stereo: | ACHIRAL |
| logP: | 5.99 |
| logD: | 5.9898 |
| logSw: | -5.6647 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 58.152 |
| InChI Key: | QBGWLAFRPZVLJV-UHFFFAOYSA-N |