[2-(2-ethoxyethyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 4-(3-methylbutanamido)benzoate
Chemical Structure Depiction of
[2-(2-ethoxyethyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 4-(3-methylbutanamido)benzoate
[2-(2-ethoxyethyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 4-(3-methylbutanamido)benzoate
Compound characteristics
| Compound ID: | G357-4000 |
| Compound Name: | [2-(2-ethoxyethyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 4-(3-methylbutanamido)benzoate |
| Molecular Weight: | 458.54 |
| Molecular Formula: | C22 H26 N4 O5 S |
| Smiles: | CCOCCC1=NN2C(=NC(COC(c3ccc(cc3)NC(CC(C)C)=O)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.4306 |
| logD: | 3.4296 |
| logSw: | -3.7571 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.43 |
| InChI Key: | MJSSGCMWKLGIJK-UHFFFAOYSA-N |