N-(3-chloro-4-fluorophenyl)-2-({6-[(2-chlorophenyl)methyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-2-({6-[(2-chlorophenyl)methyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)acetamide
N-(3-chloro-4-fluorophenyl)-2-({6-[(2-chlorophenyl)methyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | K788-0042 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-2-({6-[(2-chlorophenyl)methyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)acetamide |
| Molecular Weight: | 490.39 |
| Molecular Formula: | C22 H18 Cl2 F N5 O S |
| Smiles: | Cc1c(Cc2ccccc2[Cl])c(C)n2c(n1)nc(n2)SCC(Nc1ccc(c(c1)[Cl])F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4655 |
| logD: | 5.4573 |
| logSw: | -5.8628 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.704 |
| InChI Key: | BENSTFOQCJLYTK-UHFFFAOYSA-N |