[2-(2-methylpropyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 4-ethoxybenzoate
Chemical Structure Depiction of
[2-(2-methylpropyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 4-ethoxybenzoate
[2-(2-methylpropyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 4-ethoxybenzoate
Compound characteristics
| Compound ID: | G265-0241 |
| Compound Name: | [2-(2-methylpropyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 4-ethoxybenzoate |
| Molecular Weight: | 387.46 |
| Molecular Formula: | C19 H21 N3 O4 S |
| Smiles: | CCOc1ccc(cc1)C(=O)OCC1=CC(N2C(=N1)SC(CC(C)C)=N2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1153 |
| logD: | 4.1128 |
| logSw: | -4.1161 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.427 |
| InChI Key: | ZNNKGLCKEFDPJE-UHFFFAOYSA-N |