2-{4-[(4-bromo-1H-pyrazol-1-yl)methyl]phenyl}-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Chemical Structure Depiction of
2-{4-[(4-bromo-1H-pyrazol-1-yl)methyl]phenyl}-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
2-{4-[(4-bromo-1H-pyrazol-1-yl)methyl]phenyl}-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Compound characteristics
| Compound ID: | Y502-0835 |
| Compound Name: | 2-{4-[(4-bromo-1H-pyrazol-1-yl)methyl]phenyl}-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine |
| Molecular Weight: | 451.35 |
| Molecular Formula: | C20 H15 Br N6 S |
| Smiles: | C1Cc2c3c4nc(c5ccc(Cn6cc(cn6)[Br])cc5)nn4C=Nc3sc2C1 |
| Stereo: | ACHIRAL |
| logP: | 4.1353 |
| logD: | 4.1352 |
| logSw: | -4.4582 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 48.447 |
| InChI Key: | HIYIWJGISNXZHH-UHFFFAOYSA-N |