(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 2-[(4-methylbenzene-1-sulfonyl)amino]benzoate
Chemical Structure Depiction of
(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 2-[(4-methylbenzene-1-sulfonyl)amino]benzoate
(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 2-[(4-methylbenzene-1-sulfonyl)amino]benzoate
Compound characteristics
| Compound ID: | G357-0245 |
| Compound Name: | (2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 2-[(4-methylbenzene-1-sulfonyl)amino]benzoate |
| Molecular Weight: | 470.52 |
| Molecular Formula: | C21 H18 N4 O5 S2 |
| Smiles: | CC1=NN2C(=NC(COC(c3ccccc3NS(c3ccc(C)cc3)(=O)=O)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.506 |
| logD: | 1.2636 |
| logSw: | -3.8014 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.525 |
| InChI Key: | CEXHTDXZVRHASR-UHFFFAOYSA-N |