N-[2-({[5-oxo-2-(pentan-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)phenyl]thiophene-2-carboxamide
Chemical Structure Depiction of
N-[2-({[5-oxo-2-(pentan-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)phenyl]thiophene-2-carboxamide
N-[2-({[5-oxo-2-(pentan-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)phenyl]thiophene-2-carboxamide
Compound characteristics
| Compound ID: | G072-1268 |
| Compound Name: | N-[2-({[5-oxo-2-(pentan-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)phenyl]thiophene-2-carboxamide |
| Molecular Weight: | 470.63 |
| Molecular Formula: | C22 H22 N4 O2 S3 |
| Smiles: | CCC(CC)C1=NN2C(=NC(CSc3ccccc3NC(c3cccs3)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 5.1698 |
| logD: | 5.1682 |
| logSw: | -4.9177 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.682 |
| InChI Key: | RGADUVNAAMSIMO-UHFFFAOYSA-N |