N-(2-{[(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}phenyl)-3,4-dimethoxybenzamide
Chemical Structure Depiction of
N-(2-{[(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}phenyl)-3,4-dimethoxybenzamide
N-(2-{[(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}phenyl)-3,4-dimethoxybenzamide
Compound characteristics
| Compound ID: | G072-1151 |
| Compound Name: | N-(2-{[(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}phenyl)-3,4-dimethoxybenzamide |
| Molecular Weight: | 482.58 |
| Molecular Formula: | C23 H22 N4 O4 S2 |
| Smiles: | CCC1=NN2C(=NC(CSc3ccccc3NC(c3ccc(c(c3)OC)OC)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.5077 |
| logD: | 3.5046 |
| logSw: | -3.7518 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.828 |
| InChI Key: | IQSALJJMNHSWSB-UHFFFAOYSA-N |