2-({6-[(4-chlorophenyl)methyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-cyclohexylacetamide
Chemical Structure Depiction of
2-({6-[(4-chlorophenyl)methyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-cyclohexylacetamide
2-({6-[(4-chlorophenyl)methyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-cyclohexylacetamide
Compound characteristics
| Compound ID: | C121-0294 |
| Compound Name: | 2-({6-[(4-chlorophenyl)methyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-cyclohexylacetamide |
| Molecular Weight: | 444 |
| Molecular Formula: | C22 H26 Cl N5 O S |
| Smiles: | Cc1c(Cc2ccc(cc2)[Cl])c(C)n2c(n1)nc(n2)SCC(NC1CCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5378 |
| logD: | 4.5377 |
| logSw: | -4.6115 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.752 |
| InChI Key: | SZMWZIFRZLGEMA-UHFFFAOYSA-N |