N-(2-{[(2-ethyl-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-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}phenyl)-4-methylbenzene-1-sulfonamide
N-(2-{[(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}phenyl)-4-methylbenzene-1-sulfonamide
Compound characteristics
| Compound ID: | G072-1158 |
| Compound Name: | N-(2-{[(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}phenyl)-4-methylbenzene-1-sulfonamide |
| Molecular Weight: | 472.61 |
| Molecular Formula: | C21 H20 N4 O3 S3 |
| Smiles: | CCC1=NN2C(=NC(CSc3ccccc3NS(c3ccc(C)cc3)(=O)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 4.2256 |
| logD: | 4.1906 |
| logSw: | -4.1546 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.126 |
| InChI Key: | JTMFPXTUBLGKCU-UHFFFAOYSA-N |