2-({6-[(2-chloro-4-fluorophenyl)methyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-(2-methoxyphenyl)butanamide
Chemical Structure Depiction of
2-({6-[(2-chloro-4-fluorophenyl)methyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-(2-methoxyphenyl)butanamide
2-({6-[(2-chloro-4-fluorophenyl)methyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-(2-methoxyphenyl)butanamide
Compound characteristics
| Compound ID: | K784-5901 |
| Compound Name: | 2-({6-[(2-chloro-4-fluorophenyl)methyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-(2-methoxyphenyl)butanamide |
| Molecular Weight: | 514.02 |
| Molecular Formula: | C25 H25 Cl F N5 O2 S |
| Smiles: | CCC(C(Nc1ccccc1OC)=O)Sc1nc2nc(C)c(Cc3ccc(cc3[Cl])F)c(C)n2n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.9771 |
| logD: | 5.9769 |
| logSw: | -6.0329 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.85 |
| InChI Key: | KLRBGZBRYLHIDS-QFIPXVFZSA-N |