2-{3-[(3-bromophenoxy)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-{3-[(3-bromophenoxy)methyl]phenyl}-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
2-{3-[(3-bromophenoxy)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: | Y502-0828 |
| Compound Name: | 2-{3-[(3-bromophenoxy)methyl]phenyl}-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine |
| Molecular Weight: | 477.38 |
| Molecular Formula: | C23 H17 Br N4 O S |
| Smiles: | C1Cc2c3c4nc(c5cccc(COc6cccc(c6)[Br])c5)nn4C=Nc3sc2C1 |
| Stereo: | ACHIRAL |
| logP: | 5.9312 |
| logD: | 5.9311 |
| logSw: | -6.1035 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 41.169 |
| InChI Key: | XSSIWKXLDOMZRE-UHFFFAOYSA-N |