N-(2-{[(2-butyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}phenyl)-3-methoxybenzamide
Chemical Structure Depiction of
N-(2-{[(2-butyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}phenyl)-3-methoxybenzamide
N-(2-{[(2-butyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}phenyl)-3-methoxybenzamide
Compound characteristics
| Compound ID: | G072-1218 |
| Compound Name: | N-(2-{[(2-butyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}phenyl)-3-methoxybenzamide |
| Molecular Weight: | 480.61 |
| Molecular Formula: | C24 H24 N4 O3 S2 |
| Smiles: | CCCCC1=NN2C(=NC(CSc3ccccc3NC(c3cccc(c3)OC)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 4.922 |
| logD: | 4.9215 |
| logSw: | -4.5756 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.112 |
| InChI Key: | VHGZNAIWWCOTQJ-UHFFFAOYSA-N |