[2-(2-ethoxyethyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 4-tert-butylbenzoate
Chemical Structure Depiction of
[2-(2-ethoxyethyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 4-tert-butylbenzoate
[2-(2-ethoxyethyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 4-tert-butylbenzoate
Compound characteristics
| Compound ID: | G265-1031 |
| Compound Name: | [2-(2-ethoxyethyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 4-tert-butylbenzoate |
| Molecular Weight: | 415.51 |
| Molecular Formula: | C21 H25 N3 O4 S |
| Smiles: | CCOCCC1=NN2C(=NC(COC(c3ccc(cc3)C(C)(C)C)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 4.5958 |
| logD: | 4.5951 |
| logSw: | -4.5015 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.281 |
| InChI Key: | JDJPPNQUXQOJDA-UHFFFAOYSA-N |