[5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 4-[(2H-1,3-benzodioxole-5-carbonyl)amino]benzoate
Chemical Structure Depiction of
[5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 4-[(2H-1,3-benzodioxole-5-carbonyl)amino]benzoate
[5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 4-[(2H-1,3-benzodioxole-5-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | G357-0308 |
| Compound Name: | [5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 4-[(2H-1,3-benzodioxole-5-carbonyl)amino]benzoate |
| Molecular Weight: | 492.51 |
| Molecular Formula: | C24 H20 N4 O6 S |
| Smiles: | CC(C)C1=NN2C(=NC(COC(c3ccc(cc3)NC(c3ccc4c(c3)OCO4)=O)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 4.1083 |
| logD: | 4.0996 |
| logSw: | -4.3194 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.607 |
| InChI Key: | DYLGFEXNGYQLQB-UHFFFAOYSA-N |