N-(2-{[(5-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}phenyl)methanesulfonamide
Chemical Structure Depiction of
N-(2-{[(5-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}phenyl)methanesulfonamide
N-(2-{[(5-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}phenyl)methanesulfonamide
Compound characteristics
| Compound ID: | G072-1731 |
| Compound Name: | N-(2-{[(5-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}phenyl)methanesulfonamide |
| Molecular Weight: | 410.53 |
| Molecular Formula: | C16 H18 N4 O3 S3 |
| Smiles: | CCCC1=NN2C(=NC(CSc3ccccc3NS(C)(=O)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 2.655 |
| logD: | 2.6454 |
| logSw: | -3.0064 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.344 |
| InChI Key: | BORPCKSJMFWOAE-UHFFFAOYSA-N |