[5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl [(4-methylphenyl)sulfanyl]acetate
Chemical Structure Depiction of
[5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl [(4-methylphenyl)sulfanyl]acetate
[5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl [(4-methylphenyl)sulfanyl]acetate
Compound characteristics
| Compound ID: | G265-0095 |
| Compound Name: | [5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl [(4-methylphenyl)sulfanyl]acetate |
| Molecular Weight: | 389.49 |
| Molecular Formula: | C18 H19 N3 O3 S2 |
| Smiles: | CC(C)C1=NN2C(=NC(COC(CSc3ccc(C)cc3)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.9009 |
| logD: | 3.8926 |
| logSw: | -3.9187 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 58.805 |
| InChI Key: | CCYJNGOTLOEIOH-UHFFFAOYSA-N |