N-[2-({[5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)phenyl]-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-[2-({[5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)phenyl]-2H-1,3-benzodioxole-5-carboxamide
N-[2-({[5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)phenyl]-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | G072-1112 |
| Compound Name: | N-[2-({[5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)phenyl]-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 480.56 |
| Molecular Formula: | C23 H20 N4 O4 S2 |
| Smiles: | CC(C)C1=NN2C(=NC(CSc3ccccc3NC(c3ccc4c(c3)OCO4)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 4.2602 |
| logD: | 4.2562 |
| logSw: | -4.2589 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.78 |
| InChI Key: | OGILUUCMVKBLNK-UHFFFAOYSA-N |