N-(5-{[(2-butyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
Chemical Structure Depiction of
N-(5-{[(2-butyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
N-(5-{[(2-butyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
Compound characteristics
| Compound ID: | G072-1996 |
| Compound Name: | N-(5-{[(2-butyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)furan-2-carboxamide |
| Molecular Weight: | 448.54 |
| Molecular Formula: | C17 H16 N6 O3 S3 |
| Smiles: | CCCCC1=NN2C(=NC(CSc3nnc(NC(c4ccco4)=O)s3)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.9172 |
| logD: | 3.9002 |
| logSw: | -3.8728 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.75 |
| InChI Key: | FFCANCUFCYXSGE-UHFFFAOYSA-N |