[2-(2-methylpropyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 3-[(benzenesulfonyl)amino]benzoate
Chemical Structure Depiction of
[2-(2-methylpropyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 3-[(benzenesulfonyl)amino]benzoate
[2-(2-methylpropyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 3-[(benzenesulfonyl)amino]benzoate
Compound characteristics
| Compound ID: | G357-0907 |
| Compound Name: | [2-(2-methylpropyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 3-[(benzenesulfonyl)amino]benzoate |
| Molecular Weight: | 498.58 |
| Molecular Formula: | C23 H22 N4 O5 S2 |
| Smiles: | CC(C)CC1=NN2C(=NC(COC(c3cccc(c3)NS(c3ccccc3)(=O)=O)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 4.4851 |
| logD: | 4.4234 |
| logSw: | -4.3737 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.953 |
| InChI Key: | MDFJWOCGXDGEDG-UHFFFAOYSA-N |