2-(2,6-dimethylphenoxy)-N-[2-({[1-(2-methylpropyl)-7-oxo-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl}sulfanyl)phenyl]acetamide
Chemical Structure Depiction of
2-(2,6-dimethylphenoxy)-N-[2-({[1-(2-methylpropyl)-7-oxo-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl}sulfanyl)phenyl]acetamide
2-(2,6-dimethylphenoxy)-N-[2-({[1-(2-methylpropyl)-7-oxo-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl}sulfanyl)phenyl]acetamide
Compound characteristics
| Compound ID: | D439-6350 |
| Compound Name: | 2-(2,6-dimethylphenoxy)-N-[2-({[1-(2-methylpropyl)-7-oxo-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl}sulfanyl)phenyl]acetamide |
| Molecular Weight: | 491.61 |
| Molecular Formula: | C26 H29 N5 O3 S |
| Smiles: | CC(C)CN1C=NC2=NC(CSc3ccccc3NC(COc3c(C)cccc3C)=O)=CC(N12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8801 |
| logD: | 3.8768 |
| logSw: | -4.1058 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.37 |
| InChI Key: | MCDALLXVDRAFJB-UHFFFAOYSA-N |