N-(3,5-dimethylphenyl)-2-[(7-oxo-5-propyl-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(3,5-dimethylphenyl)-2-[(7-oxo-5-propyl-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetamide
N-(3,5-dimethylphenyl)-2-[(7-oxo-5-propyl-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetamide
Compound characteristics
Compound ID: | G856-6876 |
Compound Name: | N-(3,5-dimethylphenyl)-2-[(7-oxo-5-propyl-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetamide |
Molecular Weight: | 371.46 |
Molecular Formula: | C18 H21 N5 O2 S |
Smiles: | CCCC1=CC(Nc2nnc(n12)SCC(Nc1cc(C)cc(C)c1)=O)=O |
Stereo: | ACHIRAL |
logP: | 3.0081 |
logD: | 2.9928 |
logSw: | -3.1821 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 75.208 |
InChI Key: | VFXBLBQJESZWBF-UHFFFAOYSA-N |