3-chloro-N-{3-[(5-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}benzamide
Chemical Structure Depiction of
3-chloro-N-{3-[(5-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}benzamide
3-chloro-N-{3-[(5-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}benzamide
Compound characteristics
| Compound ID: | C679-6541 |
| Compound Name: | 3-chloro-N-{3-[(5-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}benzamide |
| Molecular Weight: | 454.93 |
| Molecular Formula: | C22 H19 Cl N4 O3 S |
| Smiles: | CCCC1=NN2C(=NC(COc3cccc(c3)NC(c3cccc(c3)[Cl])=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 4.7553 |
| logD: | 4.7485 |
| logSw: | -4.7989 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.765 |
| InChI Key: | TYBXMWJDZVTEAL-UHFFFAOYSA-N |