2-(3,4-dimethylphenoxy)-N-[2-({[5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)phenyl]acetamide
Chemical Structure Depiction of
2-(3,4-dimethylphenoxy)-N-[2-({[5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)phenyl]acetamide
2-(3,4-dimethylphenoxy)-N-[2-({[5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)phenyl]acetamide
Compound characteristics
| Compound ID: | G072-1101 |
| Compound Name: | 2-(3,4-dimethylphenoxy)-N-[2-({[5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)phenyl]acetamide |
| Molecular Weight: | 494.63 |
| Molecular Formula: | C25 H26 N4 O3 S2 |
| Smiles: | CC(C)C1=NN2C(=NC(CSc3ccccc3NC(COc3ccc(C)c(C)c3)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 5.2103 |
| logD: | 5.2062 |
| logSw: | -4.9148 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.95 |
| InChI Key: | DFHJCTKKVQTGGB-UHFFFAOYSA-N |