2-[5-(3-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-(3-bromophenyl)-1H-1,2,4-triazol-1-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile
2-[5-(3-bromophenyl)-1H-1,2,4-triazol-1-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile
Compound characteristics
Compound ID: | 4073-0137 |
Compound Name: | 2-[5-(3-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(c4cccc(c4)[Br])ncn3)sc2CC1 |
Stereo: | ACHIRAL |
logP: | 5.6737 |
logD: | 5.6737 |
logSw: | -6.0705 |
Hydrogen bond acceptors count: | 3 |
Polar surface area: | 43.207 |
InChI Key: | VJJDRCVJRNCPGX-UHFFFAOYSA-N |