N-(2-{[(2-butyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}phenyl)furan-2-carboxamide
Chemical Structure Depiction of
N-(2-{[(2-butyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}phenyl)furan-2-carboxamide
N-(2-{[(2-butyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}phenyl)furan-2-carboxamide
Compound characteristics
| Compound ID: | G072-1196 |
| Compound Name: | N-(2-{[(2-butyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}phenyl)furan-2-carboxamide |
| Molecular Weight: | 440.54 |
| Molecular Formula: | C21 H20 N4 O3 S2 |
| Smiles: | CCCCC1=NN2C(=NC(CSc3ccccc3NC(c3ccco3)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 4.1323 |
| logD: | 4.1318 |
| logSw: | -4.0361 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.146 |
| InChI Key: | BLTKHFSWNMAZNQ-UHFFFAOYSA-N |