N-(2,3-dimethylphenyl)-2-({[5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)acetamide
Chemical Structure Depiction of
N-(2,3-dimethylphenyl)-2-({[5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)acetamide
N-(2,3-dimethylphenyl)-2-({[5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)acetamide
Compound characteristics
Compound ID: | G432-0046 |
Compound Name: | N-(2,3-dimethylphenyl)-2-({[5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)acetamide |
Molecular Weight: | 402.54 |
Molecular Formula: | C19 H22 N4 O2 S2 |
Smiles: | CC(C)C1=NN2C(=NC(CSCC(Nc3cccc(C)c3C)=O)=CC2=O)S1 |
Stereo: | ACHIRAL |
logP: | 4.0277 |
logD: | 4.0236 |
logSw: | -4.1008 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 60.722 |
InChI Key: | HCMQVQRYDZJNRF-UHFFFAOYSA-N |