N-{3-[(2-butyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}-3,4-dimethoxybenzamide
Chemical Structure Depiction of
N-{3-[(2-butyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}-3,4-dimethoxybenzamide
N-{3-[(2-butyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}-3,4-dimethoxybenzamide
Compound characteristics
| Compound ID: | C679-4730 |
| Compound Name: | N-{3-[(2-butyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}-3,4-dimethoxybenzamide |
| Molecular Weight: | 494.57 |
| Molecular Formula: | C25 H26 N4 O5 S |
| Smiles: | CCCCC1=NN2C(=NC(COc3cccc(c3)NC(c3ccc(c(c3)OC)OC)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 4.1562 |
| logD: | 4.1552 |
| logSw: | -4.3048 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.025 |
| InChI Key: | IFACVTPWLWHPDX-UHFFFAOYSA-N |