4-chloro-N-(3-{[5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methoxy}phenyl)benzene-1-sulfonamide
Chemical Structure Depiction of
4-chloro-N-(3-{[5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methoxy}phenyl)benzene-1-sulfonamide
4-chloro-N-(3-{[5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methoxy}phenyl)benzene-1-sulfonamide
Compound characteristics
| Compound ID: | C679-4231 |
| Compound Name: | 4-chloro-N-(3-{[5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methoxy}phenyl)benzene-1-sulfonamide |
| Molecular Weight: | 490.99 |
| Molecular Formula: | C21 H19 Cl N4 O4 S2 |
| Smiles: | CC(C)C1=NN2C(=NC(COc3cccc(c3)NS(c3ccc(cc3)[Cl])(=O)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 4.5168 |
| logD: | 4.3211 |
| logSw: | -4.636 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.419 |
| InChI Key: | UDLNVGRLBSPJIQ-UHFFFAOYSA-N |