[2-(2-methoxyethyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 4-tert-butylbenzoate
Chemical Structure Depiction of
[2-(2-methoxyethyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 4-tert-butylbenzoate
[2-(2-methoxyethyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 4-tert-butylbenzoate
Compound characteristics
| Compound ID: | G265-0969 |
| Compound Name: | [2-(2-methoxyethyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 4-tert-butylbenzoate |
| Molecular Weight: | 401.48 |
| Molecular Formula: | C20 H23 N3 O4 S |
| Smiles: | CC(C)(C)c1ccc(cc1)C(=O)OCC1=CC(N2C(=N1)SC(CCOC)=N2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1101 |
| logD: | 4.1085 |
| logSw: | -4.3401 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.646 |
| InChI Key: | CQUTZQAXMQVJAZ-UHFFFAOYSA-N |