N-{3-[(2-butyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}-2-methylbenzamide
Chemical Structure Depiction of
N-{3-[(2-butyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}-2-methylbenzamide
N-{3-[(2-butyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}-2-methylbenzamide
Compound characteristics
| Compound ID: | C679-4708 |
| Compound Name: | N-{3-[(2-butyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}-2-methylbenzamide |
| Molecular Weight: | 448.54 |
| Molecular Formula: | C24 H24 N4 O3 S |
| Smiles: | CCCCC1=NN2C(=NC(COc3cccc(c3)NC(c3ccccc3C)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 4.7509 |
| logD: | 4.7488 |
| logSw: | -4.5232 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.765 |
| InChI Key: | NKTHPESEIOOGRR-UHFFFAOYSA-N |