2-{[3-(3-bromophenyl)[1,3]thiazolo[2,3-c][1,2,4]triazol-6-yl]methyl}-1,2,3,4-tetrahydroisoquinoline
Chemical Structure Depiction of
2-{[3-(3-bromophenyl)[1,3]thiazolo[2,3-c][1,2,4]triazol-6-yl]methyl}-1,2,3,4-tetrahydroisoquinoline
2-{[3-(3-bromophenyl)[1,3]thiazolo[2,3-c][1,2,4]triazol-6-yl]methyl}-1,2,3,4-tetrahydroisoquinoline
Compound characteristics
| Compound ID: | C246-0234 |
| Compound Name: | 2-{[3-(3-bromophenyl)[1,3]thiazolo[2,3-c][1,2,4]triazol-6-yl]methyl}-1,2,3,4-tetrahydroisoquinoline |
| Molecular Weight: | 425.35 |
| Molecular Formula: | C20 H17 Br N4 S |
| Smiles: | C1CN(Cc2ccccc12)Cc1cn2c(c3cccc(c3)[Br])nnc2s1 |
| Stereo: | ACHIRAL |
| logP: | 4.8489 |
| logD: | 4.2611 |
| logSw: | -4.7034 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 26.0893 |
| InChI Key: | KNXKORUIBLGINR-UHFFFAOYSA-N |