2-(4-methylphenoxy)-N-[2-({[7-oxo-1-(propan-2-yl)-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl}sulfanyl)phenyl]acetamide
Chemical Structure Depiction of
2-(4-methylphenoxy)-N-[2-({[7-oxo-1-(propan-2-yl)-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl}sulfanyl)phenyl]acetamide
2-(4-methylphenoxy)-N-[2-({[7-oxo-1-(propan-2-yl)-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl}sulfanyl)phenyl]acetamide
Compound characteristics
| Compound ID: | D439-6140 |
| Compound Name: | 2-(4-methylphenoxy)-N-[2-({[7-oxo-1-(propan-2-yl)-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl}sulfanyl)phenyl]acetamide |
| Molecular Weight: | 463.56 |
| Molecular Formula: | C24 H25 N5 O3 S |
| Smiles: | CC(C)N1C=NC2=NC(CSc3ccccc3NC(COc3ccc(C)cc3)=O)=CC(N12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8496 |
| logD: | 2.6808 |
| logSw: | -3.381 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.856 |
| InChI Key: | IXKNERHKTMKIDY-UHFFFAOYSA-N |