N-(5-{[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-phenoxyacetamide
Chemical Structure Depiction of
N-(5-{[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-phenoxyacetamide
N-(5-{[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-phenoxyacetamide
Compound characteristics
| Compound ID: | G072-1878 |
| Compound Name: | N-(5-{[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-phenoxyacetamide |
| Molecular Weight: | 446.53 |
| Molecular Formula: | C17 H14 N6 O3 S3 |
| Smiles: | CC1=NN2C(=NC(CSc3nnc(NC(COc4ccccc4)=O)s3)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.2032 |
| logD: | 3.1991 |
| logSw: | -3.4376 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.727 |
| InChI Key: | CAPOCIILJDWYKX-UHFFFAOYSA-N |