2-({6-[(2-chloro-4-fluorophenyl)methyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-(3-methoxyphenyl)acetamide
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-(3-methoxyphenyl)acetamide
2-({6-[(2-chloro-4-fluorophenyl)methyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-(3-methoxyphenyl)acetamide
Compound characteristics
| Compound ID: | C121-0647 |
| Compound Name: | 2-({6-[(2-chloro-4-fluorophenyl)methyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-(3-methoxyphenyl)acetamide |
| Molecular Weight: | 485.97 |
| Molecular Formula: | C23 H21 Cl F N5 O2 S |
| Smiles: | Cc1c(Cc2ccc(cc2[Cl])F)c(C)n2c(n1)nc(n2)SCC(Nc1cccc(c1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0427 |
| logD: | 5.0427 |
| logSw: | -5.2961 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.248 |
| InChI Key: | SCBBQUANLKFWGH-UHFFFAOYSA-N |