N-{3-[(2-butyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}-3-chlorobenzamide
Chemical Structure Depiction of
N-{3-[(2-butyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}-3-chlorobenzamide
N-{3-[(2-butyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}-3-chlorobenzamide
Compound characteristics
| Compound ID: | C679-4731 |
| Compound Name: | N-{3-[(2-butyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}-3-chlorobenzamide |
| Molecular Weight: | 468.96 |
| Molecular Formula: | C23 H21 Cl N4 O3 S |
| Smiles: | CCCCC1=NN2C(=NC(COc3cccc(c3)NC(c3cccc(c3)[Cl])=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 5.1947 |
| logD: | 5.191 |
| logSw: | -5.5794 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.765 |
| InChI Key: | IBHJUSROVIQUEN-UHFFFAOYSA-N |