2-[5-(4-bromophenyl)-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-bromophenyl)-1H-1,2,4-triazol-1-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile
2-[5-(4-bromophenyl)-1H-1,2,4-triazol-1-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile
Compound characteristics
| Compound ID: | 4073-0134 |
| Compound Name: | 2-[5-(4-bromophenyl)-1H-1,2,4-triazol-1-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile |
| Molecular Weight: | 399.31 |
| Molecular Formula: | C18 H15 Br N4 S |
| Smiles: | C1CCc2c(C#N)c(n3c(c4ccc(cc4)[Br])ncn3)sc2CC1 |
| Stereo: | ACHIRAL |
| logP: | 5.6605 |
| logD: | 5.6604 |
| logSw: | -6.0279 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 43.207 |
| InChI Key: | UZPHSCIPHXXZGG-UHFFFAOYSA-N |