N-{4-[(5-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}methanesulfonamide
Chemical Structure Depiction of
N-{4-[(5-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}methanesulfonamide
N-{4-[(5-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}methanesulfonamide
Compound characteristics
| Compound ID: | C679-6612 |
| Compound Name: | N-{4-[(5-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}methanesulfonamide |
| Molecular Weight: | 394.47 |
| Molecular Formula: | C16 H18 N4 O4 S2 |
| Smiles: | CCCC1=NN2C(=NC(COc3ccc(cc3)NS(C)(=O)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 2.1158 |
| logD: | 2.1035 |
| logSw: | -2.777 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.541 |
| InChI Key: | IRRLLIWOERQFJH-UHFFFAOYSA-N |