N-(2-{[(2-cyclopropyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}phenyl)-4-methylbenzene-1-sulfonamide
Chemical Structure Depiction of
N-(2-{[(2-cyclopropyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}phenyl)-4-methylbenzene-1-sulfonamide
N-(2-{[(2-cyclopropyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}phenyl)-4-methylbenzene-1-sulfonamide
Compound characteristics
| Compound ID: | G072-1263 |
| Compound Name: | N-(2-{[(2-cyclopropyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}phenyl)-4-methylbenzene-1-sulfonamide |
| Molecular Weight: | 484.62 |
| Molecular Formula: | C22 H20 N4 O3 S3 |
| Smiles: | Cc1ccc(cc1)S(Nc1ccccc1SCC1=CC(N2C(=N1)SC(C1CC1)=N2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4748 |
| logD: | 4.4396 |
| logSw: | -4.2614 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.474 |
| InChI Key: | VQSJZUBCMNBSPX-UHFFFAOYSA-N |