4-methyl-N-[2-({[5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)phenyl]benzene-1-sulfonamide
Chemical Structure Depiction of
4-methyl-N-[2-({[5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)phenyl]benzene-1-sulfonamide
4-methyl-N-[2-({[5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)phenyl]benzene-1-sulfonamide
Compound characteristics
| Compound ID: | G072-1115 |
| Compound Name: | 4-methyl-N-[2-({[5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)phenyl]benzene-1-sulfonamide |
| Molecular Weight: | 486.63 |
| Molecular Formula: | C22 H22 N4 O3 S3 |
| Smiles: | CC(C)C1=NN2C(=NC(CSc3ccccc3NS(c3ccc(C)cc3)(=O)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 4.6798 |
| logD: | 4.644 |
| logSw: | -4.3413 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.223 |
| InChI Key: | JAABFDDVKRSAOL-UHFFFAOYSA-N |