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]-2H-1,3-benzodioxole-5-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]-2H-1,3-benzodioxole-5-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]-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | G072-1924 |
| 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]-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 488.56 |
| Molecular Formula: | C19 H16 N6 O4 S3 |
| Smiles: | CC(C)C1=NN2C(=NC(CSc3nnc(NC(c4ccc5c(c4)OCO5)=O)s3)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 4.0451 |
| logD: | 4.0353 |
| logSw: | -4.1718 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 101.383 |
| InChI Key: | PIXMDFHAAVIJPW-UHFFFAOYSA-N |