N-[5-({[5-oxo-2-(propan-2-yl)-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-({[5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
N-[5-({[5-oxo-2-(propan-2-yl)-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: | G072-1916 |
| Compound Name: | N-[5-({[5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide |
| Molecular Weight: | 434.52 |
| Molecular Formula: | C16 H14 N6 O3 S3 |
| Smiles: | CC(C)C1=NN2C(=NC(CSc3nnc(NC(c4ccco4)=O)s3)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.3952 |
| logD: | 3.3746 |
| logSw: | -3.7348 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.846 |
| InChI Key: | VLAPIOZJJVMLLU-UHFFFAOYSA-N |