4-chloro-N-(2-{[(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}phenyl)benzene-1-sulfonamide
Chemical Structure Depiction of
4-chloro-N-(2-{[(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}phenyl)benzene-1-sulfonamide
4-chloro-N-(2-{[(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}phenyl)benzene-1-sulfonamide
Compound characteristics
| Compound ID: | G072-1157 |
| Compound Name: | 4-chloro-N-(2-{[(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}phenyl)benzene-1-sulfonamide |
| Molecular Weight: | 493.02 |
| Molecular Formula: | C20 H17 Cl N4 O3 S3 |
| Smiles: | CCC1=NN2C(=NC(CSc3ccccc3NS(c3ccc(cc3)[Cl])(=O)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 4.3969 |
| logD: | 4.3146 |
| logSw: | -4.5138 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.126 |
| InChI Key: | HMNANYGRNYSSMO-UHFFFAOYSA-N |