2-(4-fluorophenoxy)-N-[4-({[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-fluorophenoxy)-N-[4-({[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-fluorophenoxy)-N-[4-({[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: | D439-6664 |
| Compound Name: | 2-(4-fluorophenoxy)-N-[4-({[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: | 467.52 |
| Molecular Formula: | C23 H22 F N5 O3 S |
| Smiles: | CC(C)N1C=NC2=NC(CSc3ccc(cc3)NC(COc3ccc(cc3)F)=O)=CC(N12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.889 |
| logD: | 2.7203 |
| logSw: | -3.6713 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.554 |
| InChI Key: | YJECWZLSRQHERG-UHFFFAOYSA-N |