N-{3-[(2-butyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}-3-methylbutanamide
Chemical Structure Depiction of
N-{3-[(2-butyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}-3-methylbutanamide
N-{3-[(2-butyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}-3-methylbutanamide
Compound characteristics
| Compound ID: | C679-4702 |
| Compound Name: | N-{3-[(2-butyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}-3-methylbutanamide |
| Molecular Weight: | 414.53 |
| Molecular Formula: | C21 H26 N4 O3 S |
| Smiles: | CCCCC1=NN2C(=NC(COc3cccc(c3)NC(CC(C)C)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 4.3302 |
| logD: | 4.3292 |
| logSw: | -4.2836 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.823 |
| InChI Key: | NQKDKNNDXPTCBJ-UHFFFAOYSA-N |