N-{3-[(5-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}benzamide
Chemical Structure Depiction of
N-{3-[(5-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}benzamide
N-{3-[(5-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}benzamide
Compound characteristics
| Compound ID: | C679-6500 |
| Compound Name: | N-{3-[(5-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}benzamide |
| Molecular Weight: | 420.49 |
| Molecular Formula: | C22 H20 N4 O3 S |
| Smiles: | CCCC1=NN2C(=NC(COc3cccc(c3)NC(c3ccccc3)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.9875 |
| logD: | 3.9831 |
| logSw: | -4.1189 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.765 |
| InChI Key: | QNJIRGJQCYFENT-UHFFFAOYSA-N |