2-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-1-yl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carbonitrile
Chemical Structure Depiction of
2-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-1-yl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carbonitrile
2-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-1-yl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carbonitrile
Compound characteristics
| Compound ID: | 4073-0039 |
| Compound Name: | 2-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-1-yl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carbonitrile |
| Molecular Weight: | 364.47 |
| Molecular Formula: | C20 H20 N4 O S |
| Smiles: | COc1ccc(cc1)c1ncnn1c1c(C#N)c2CCCCCCc2s1 |
| Stereo: | ACHIRAL |
| logP: | 5.3049 |
| logD: | 5.3049 |
| logSw: | -5.3493 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 50.751 |
| InChI Key: | FWQHZESPMNIACT-UHFFFAOYSA-N |