N-(2-{[(2-cyclohexyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}phenyl)thiophene-2-carboxamide
Chemical Structure Depiction of
N-(2-{[(2-cyclohexyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}phenyl)thiophene-2-carboxamide
N-(2-{[(2-cyclohexyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}phenyl)thiophene-2-carboxamide
Compound characteristics
| Compound ID: | G072-1524 |
| Compound Name: | N-(2-{[(2-cyclohexyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}phenyl)thiophene-2-carboxamide |
| Molecular Weight: | 482.64 |
| Molecular Formula: | C23 H22 N4 O2 S3 |
| Smiles: | C1CCC(CC1)C1=NN2C(=NC(CSc3ccccc3NC(c3cccs3)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 5.2416 |
| logD: | 5.2415 |
| logSw: | -5.1529 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.603 |
| InChI Key: | CIIUOPOKFYHJIN-UHFFFAOYSA-N |