4-methyl-N-(3-{[5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methoxy}phenyl)benzene-1-sulfonamide
Chemical Structure Depiction of
4-methyl-N-(3-{[5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methoxy}phenyl)benzene-1-sulfonamide
4-methyl-N-(3-{[5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methoxy}phenyl)benzene-1-sulfonamide
Compound characteristics
| Compound ID: | C679-4232 |
| Compound Name: | 4-methyl-N-(3-{[5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methoxy}phenyl)benzene-1-sulfonamide |
| Molecular Weight: | 470.57 |
| Molecular Formula: | C22 H22 N4 O4 S2 |
| Smiles: | CC(C)C1=NN2C(=NC(COc3cccc(c3)NS(c3ccc(C)cc3)(=O)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 4.3455 |
| logD: | 4.2562 |
| logSw: | -4.3684 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.419 |
| InChI Key: | JXPWFQIFFWBSPG-UHFFFAOYSA-N |