N-[2-({[7-oxo-1-(propan-2-yl)-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl}sulfanyl)phenyl]-2-phenoxyacetamide
Chemical Structure Depiction of
N-[2-({[7-oxo-1-(propan-2-yl)-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl}sulfanyl)phenyl]-2-phenoxyacetamide
N-[2-({[7-oxo-1-(propan-2-yl)-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl}sulfanyl)phenyl]-2-phenoxyacetamide
Compound characteristics
| Compound ID: | D439-6137 |
| Compound Name: | N-[2-({[7-oxo-1-(propan-2-yl)-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl}sulfanyl)phenyl]-2-phenoxyacetamide |
| Molecular Weight: | 449.53 |
| Molecular Formula: | C23 H23 N5 O3 S |
| Smiles: | CC(C)N1C=NC2=NC(CSc3ccccc3NC(COc3ccccc3)=O)=CC(N12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3977 |
| logD: | 2.2289 |
| logSw: | -2.7862 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.856 |
| InChI Key: | IIPFONWLOSOJBL-UHFFFAOYSA-N |