2-(3-{[(4-fluorophenyl)methyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyridine-8-sulfonyl)-1,2,3,4-tetrahydroisoquinoline
Chemical Structure Depiction of
2-(3-{[(4-fluorophenyl)methyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyridine-8-sulfonyl)-1,2,3,4-tetrahydroisoquinoline
2-(3-{[(4-fluorophenyl)methyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyridine-8-sulfonyl)-1,2,3,4-tetrahydroisoquinoline
Compound characteristics
| Compound ID: | M114-0385 |
| Compound Name: | 2-(3-{[(4-fluorophenyl)methyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyridine-8-sulfonyl)-1,2,3,4-tetrahydroisoquinoline |
| Molecular Weight: | 454.54 |
| Molecular Formula: | C22 H19 F N4 O2 S2 |
| Smiles: | C1CN(Cc2ccccc12)S(c1cccn2c(nnc12)SCc1ccc(cc1)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4449 |
| logD: | 3.4449 |
| logSw: | -3.4927 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 54.078 |
| InChI Key: | BYRZDOQFSRWMJG-UHFFFAOYSA-N |