N-[2-({[5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)phenyl]cyclohexanecarboxamide
Chemical Structure Depiction of
N-[2-({[5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)phenyl]cyclohexanecarboxamide
N-[2-({[5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)phenyl]cyclohexanecarboxamide
Compound characteristics
| Compound ID: | G072-1091 |
| Compound Name: | N-[2-({[5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)phenyl]cyclohexanecarboxamide |
| Molecular Weight: | 442.6 |
| Molecular Formula: | C22 H26 N4 O2 S2 |
| Smiles: | CC(C)C1=NN2C(=NC(CSc3ccccc3NC(C3CCCCC3)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 4.5416 |
| logD: | 4.5376 |
| logSw: | -4.173 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.856 |
| InChI Key: | LWGLGJSCLWMPGN-UHFFFAOYSA-N |