2-[(6-benzyl-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-[(thiophen-2-yl)methyl]acetamide
Chemical Structure Depiction of
2-[(6-benzyl-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-[(thiophen-2-yl)methyl]acetamide
2-[(6-benzyl-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-[(thiophen-2-yl)methyl]acetamide
Compound characteristics
| Compound ID: | C179-0926 |
| Compound Name: | 2-[(6-benzyl-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-[(thiophen-2-yl)methyl]acetamide |
| Molecular Weight: | 423.56 |
| Molecular Formula: | C21 H21 N5 O S2 |
| Smiles: | Cc1c(Cc2ccccc2)c(C)n2c(n1)nc(n2)SCC(NCc1cccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7035 |
| logD: | 3.7034 |
| logSw: | -4.0352 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.045 |
| InChI Key: | LRIYOTBQXSTUTP-UHFFFAOYSA-N |