2-({6-[(2-chloro-6-fluorophenyl)methyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-(3-ethoxypropyl)acetamide
Chemical Structure Depiction of
2-({6-[(2-chloro-6-fluorophenyl)methyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-(3-ethoxypropyl)acetamide
2-({6-[(2-chloro-6-fluorophenyl)methyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-(3-ethoxypropyl)acetamide
Compound characteristics
| Compound ID: | C179-0817 |
| Compound Name: | 2-({6-[(2-chloro-6-fluorophenyl)methyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-(3-ethoxypropyl)acetamide |
| Molecular Weight: | 465.98 |
| Molecular Formula: | C21 H25 Cl F N5 O2 S |
| Smiles: | CCOCCCNC(CSc1nc2nc(C)c(Cc3c(cccc3[Cl])F)c(C)n2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2138 |
| logD: | 3.2137 |
| logSw: | -3.528 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.117 |
| InChI Key: | LSAQJJNEHSTCPY-UHFFFAOYSA-N |