N-benzyl-2-({6-[(2-chloro-6-fluorophenyl)methyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-(propan-2-yl)acetamide
Chemical Structure Depiction of
N-benzyl-2-({6-[(2-chloro-6-fluorophenyl)methyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-(propan-2-yl)acetamide
N-benzyl-2-({6-[(2-chloro-6-fluorophenyl)methyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-(propan-2-yl)acetamide
Compound characteristics
| Compound ID: | K784-8727 |
| Compound Name: | N-benzyl-2-({6-[(2-chloro-6-fluorophenyl)methyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-(propan-2-yl)acetamide |
| Molecular Weight: | 512.05 |
| Molecular Formula: | C26 H27 Cl F N5 O S |
| Smiles: | CC(C)N(Cc1ccccc1)C(CSc1nc2nc(C)c(Cc3c(cccc3[Cl])F)c(C)n2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3859 |
| logD: | 5.3856 |
| logSw: | -5.8133 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.254 |
| InChI Key: | OXIRTLBNRJBBNZ-UHFFFAOYSA-N |