[5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl [(4-chlorophenyl)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-chlorophenyl)sulfanyl]acetate
[5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl [(4-chlorophenyl)sulfanyl]acetate
Compound characteristics
| Compound ID: | G265-0096 |
| Compound Name: | [5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl [(4-chlorophenyl)sulfanyl]acetate |
| Molecular Weight: | 409.91 |
| Molecular Formula: | C17 H16 Cl N3 O3 S2 |
| Smiles: | CC(C)C1=NN2C(=NC(COC(CSc3ccc(cc3)[Cl])=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 4.0723 |
| logD: | 4.064 |
| logSw: | -4.4345 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 58.805 |
| InChI Key: | MSULFDXXCGXQEE-UHFFFAOYSA-N |