N-(5-{[(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide
Chemical Structure Depiction of
N-(5-{[(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide
N-(5-{[(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide
Compound characteristics
| Compound ID: | G072-1955 |
| Compound Name: | N-(5-{[(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide |
| Molecular Weight: | 436.57 |
| Molecular Formula: | C17 H20 N6 O2 S3 |
| Smiles: | CCC1=NN2C(=NC(CSc3nnc(NC(C4CCCCC4)=O)s3)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.8506 |
| logD: | 3.841 |
| logSw: | -3.7579 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.364 |
| InChI Key: | ORXQLNZXGGGKFH-UHFFFAOYSA-N |