N-{4-[(5-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}benzenesulfonamide
Chemical Structure Depiction of
N-{4-[(5-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}benzenesulfonamide
N-{4-[(5-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}benzenesulfonamide
Compound characteristics
| Compound ID: | C679-6609 |
| Compound Name: | N-{4-[(5-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}benzenesulfonamide |
| Molecular Weight: | 456.54 |
| Molecular Formula: | C21 H20 N4 O4 S2 |
| Smiles: | CCCC1=NN2C(=NC(COc3ccc(cc3)NS(c3ccccc3)(=O)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.7678 |
| logD: | 3.7294 |
| logSw: | -3.9274 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.323 |
| InChI Key: | WRRLRIRSYRFHTC-UHFFFAOYSA-N |