[5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 3-(2,2-dimethylpropanamido)benzoate
Chemical Structure Depiction of
[5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 3-(2,2-dimethylpropanamido)benzoate
[5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 3-(2,2-dimethylpropanamido)benzoate
Compound characteristics
| Compound ID: | G357-0349 |
| Compound Name: | [5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 3-(2,2-dimethylpropanamido)benzoate |
| Molecular Weight: | 428.51 |
| Molecular Formula: | C21 H24 N4 O4 S |
| Smiles: | CC(C)C1=NN2C(=NC(COC(c3cccc(c3)NC(C(C)(C)C)=O)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.9575 |
| logD: | 3.9492 |
| logSw: | -4.1068 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.763 |
| InChI Key: | BNWJXWVTRZESHQ-UHFFFAOYSA-N |