N-(2-{[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}phenyl)cyclohexanecarboxamide
Chemical Structure Depiction of
N-(2-{[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}phenyl)cyclohexanecarboxamide
N-(2-{[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}phenyl)cyclohexanecarboxamide
Compound characteristics
| Compound ID: | G072-1046 |
| Compound Name: | N-(2-{[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}phenyl)cyclohexanecarboxamide |
| Molecular Weight: | 414.55 |
| Molecular Formula: | C20 H22 N4 O2 S2 |
| Smiles: | CC1=NN2C(=NC(CSc3ccccc3NC(C3CCCCC3)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.716 |
| logD: | 3.7135 |
| logSw: | -3.8891 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.029 |
| InChI Key: | RXPFGMWABIRBKD-UHFFFAOYSA-N |