2-(2-bromophenyl)-9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Chemical Structure Depiction of
2-(2-bromophenyl)-9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
2-(2-bromophenyl)-9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Compound characteristics
| Compound ID: | 4072-2781 |
| Compound Name: | 2-(2-bromophenyl)-9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine |
| Molecular Weight: | 399.31 |
| Molecular Formula: | C18 H15 Br N4 S |
| Smiles: | C1CCc2c3c4nc(c5ccccc5[Br])nn4C=Nc3sc2CC1 |
| Stereo: | ACHIRAL |
| logP: | 4.6787 |
| logD: | 4.6771 |
| logSw: | -4.8263 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 33.907 |
| InChI Key: | QGIGGRBKYURXAH-UHFFFAOYSA-N |