2-chloro-N-{4-[(5-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}benzamide
Chemical Structure Depiction of
2-chloro-N-{4-[(5-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}benzamide
2-chloro-N-{4-[(5-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}benzamide
Compound characteristics
| Compound ID: | C679-6563 |
| Compound Name: | 2-chloro-N-{4-[(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(COc3ccc(cc3)NC(c3ccccc3[Cl])=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 4.4628 |
| logD: | 4.4575 |
| logSw: | -4.4794 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.765 |
| InChI Key: | HPKMNWWYNYQDPC-UHFFFAOYSA-N |