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)-2-methylpropanamide
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)-2-methylpropanamide
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)-2-methylpropanamide
Compound characteristics
| Compound ID: | G072-1949 |
| 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)-2-methylpropanamide |
| Molecular Weight: | 396.51 |
| Molecular Formula: | C14 H16 N6 O2 S3 |
| Smiles: | CCC1=NN2C(=NC(CSc3nnc(NC(C(C)C)=O)s3)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.0874 |
| logD: | 3.0816 |
| logSw: | -3.2765 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.443 |
| InChI Key: | UJMSGOOMFIQPEI-UHFFFAOYSA-N |