3-methoxy-N-[4-({[7-oxo-1-(propan-2-yl)-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl}sulfanyl)phenyl]benzamide

Chemical Structure Depiction of
3-methoxy-N-[4-({[7-oxo-1-(propan-2-yl)-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl}sulfanyl)phenyl]benzamide
Available: 171 mg
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mg
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Compound characteristics

Compound ID: D439-6678
Compound Name: 3-methoxy-N-[4-({[7-oxo-1-(propan-2-yl)-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl}sulfanyl)phenyl]benzamide
Molecular Weight: 449.53
Molecular Formula: C23 H23 N5 O3 S
Smiles: CC(C)N1C=NC2=NC(CSc3ccc(cc3)NC(c3cccc(c3)OC)=O)=CC(N12)=O
Stereo: ACHIRAL
logP: 2.8879
logD: 2.7191
logSw: -3.6982
Hydrogen bond acceptors count: 8
Hydrogen bond donors count: 1
Polar surface area: 72.812
InChI Key: GAOHGTTXSJNEPC-UHFFFAOYSA-N
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