(5-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 4-[(benzenesulfonyl)amino]benzoate
Chemical Structure Depiction of
(5-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 4-[(benzenesulfonyl)amino]benzoate
(5-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 4-[(benzenesulfonyl)amino]benzoate
Compound characteristics
| Compound ID: | G357-3563 |
| Compound Name: | (5-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 4-[(benzenesulfonyl)amino]benzoate |
| Molecular Weight: | 484.55 |
| Molecular Formula: | C22 H20 N4 O5 S2 |
| Smiles: | CCCC1=NN2C(=NC(COC(c3ccc(cc3)NS(c3ccccc3)(=O)=O)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 4.0286 |
| logD: | 3.5653 |
| logSw: | -4.1945 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.953 |
| InChI Key: | TUEPJPBGUKPYBG-UHFFFAOYSA-N |