N-[4-({[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-[4-({[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-[4-({[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: | D439-6648 |
Compound Name: | N-[4-({[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(CSc3ccc(cc3)NC(COc3ccccc3)=O)=CC(N12)=O |
Stereo: | ACHIRAL |
logP: | 2.8314 |
logD: | 2.6627 |
logSw: | -3.5784 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 72.554 |
InChI Key: | DMYOJRHDDQKETF-UHFFFAOYSA-N |