N-[(2H-1,3-benzodioxol-5-yl)methyl]-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-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({6-[(2-chlorophenyl)methyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({6-[(2-chlorophenyl)methyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | C179-0735 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({6-[(2-chlorophenyl)methyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)acetamide |
| Molecular Weight: | 495.99 |
| Molecular Formula: | C24 H22 Cl N5 O3 S |
| Smiles: | Cc1c(Cc2ccccc2[Cl])c(C)n2c(n1)nc(n2)SCC(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3297 |
| logD: | 4.3297 |
| logSw: | -4.4601 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.142 |
| InChI Key: | LQXOBCQHUJDIKG-UHFFFAOYSA-N |