[5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 4-tert-butylbenzoate
Chemical Structure Depiction of
[5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 4-tert-butylbenzoate
[5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 4-tert-butylbenzoate
Compound characteristics
| Compound ID: | G265-0101 |
| Compound Name: | [5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 4-tert-butylbenzoate |
| Molecular Weight: | 385.48 |
| Molecular Formula: | C20 H23 N3 O3 S |
| Smiles: | CC(C)C1=NN2C(=NC(COC(c3ccc(cc3)C(C)(C)C)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 5.1493 |
| logD: | 5.141 |
| logSw: | -5.03 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.4 |
| InChI Key: | UMXDKMHNCWLBBA-UHFFFAOYSA-N |