N-(2-{[(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}phenyl)-2-methoxybenzamide
Chemical Structure Depiction of
N-(2-{[(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}phenyl)-2-methoxybenzamide
N-(2-{[(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}phenyl)-2-methoxybenzamide
Compound characteristics
| Compound ID: | G072-1147 |
| Compound Name: | N-(2-{[(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}phenyl)-2-methoxybenzamide |
| Molecular Weight: | 452.55 |
| Molecular Formula: | C22 H20 N4 O3 S2 |
| Smiles: | CCC1=NN2C(=NC(CSc3ccccc3NC(c3ccccc3OC)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.7085 |
| logD: | 3.7029 |
| logSw: | -4.0334 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.198 |
| InChI Key: | XYEVXMFLUGCNDM-UHFFFAOYSA-N |