4-methyl-N-(2-{[(2-methyl-5-oxo-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-{[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}phenyl)benzene-1-sulfonamide
4-methyl-N-(2-{[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}phenyl)benzene-1-sulfonamide
Compound characteristics
| Compound ID: | G072-1076 |
| Compound Name: | 4-methyl-N-(2-{[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}phenyl)benzene-1-sulfonamide |
| Molecular Weight: | 458.58 |
| Molecular Formula: | C20 H18 N4 O3 S3 |
| Smiles: | CC1=NN2C(=NC(CSc3ccccc3NS(c3ccc(C)cc3)(=O)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.8542 |
| logD: | 3.82 |
| logSw: | -3.9266 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.396 |
| InChI Key: | MTBNRVIIHVVASH-UHFFFAOYSA-N |