N-(5-{[(5-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
Chemical Structure Depiction of
N-(5-{[(5-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
N-(5-{[(5-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
Compound characteristics
| Compound ID: | G072-2513 |
| Compound Name: | N-(5-{[(5-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide |
| Molecular Weight: | 450.58 |
| Molecular Formula: | C16 H14 N6 O2 S4 |
| Smiles: | CCCC1=NN2C(=NC(CSc3nnc(NC(c4cccs4)=O)s3)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 4.1179 |
| logD: | 4.1099 |
| logSw: | -4.0186 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.19 |
| InChI Key: | QHGQHTGOIUCOBQ-UHFFFAOYSA-N |