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-phenylacetamide
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-phenylacetamide
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-phenylacetamide
Compound characteristics
Compound ID: | D439-6178 |
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-phenylacetamide |
Molecular Weight: | 433.53 |
Molecular Formula: | C23 H23 N5 O2 S |
Smiles: | CC(C)N1C=NC2=NC(CSc3ccccc3NC(Cc3ccccc3)=O)=CC(N12)=O |
Stereo: | ACHIRAL |
logP: | 2.2808 |
logD: | 2.112 |
logSw: | -2.7455 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 64.357 |
InChI Key: | SMWPLMXHPFRDJD-UHFFFAOYSA-N |