(2-butyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl [(4-methylphenyl)sulfanyl]acetate
Chemical Structure Depiction of
(2-butyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl [(4-methylphenyl)sulfanyl]acetate
(2-butyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl [(4-methylphenyl)sulfanyl]acetate
Compound characteristics
| Compound ID: | G265-0281 |
| Compound Name: | (2-butyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl [(4-methylphenyl)sulfanyl]acetate |
| Molecular Weight: | 403.52 |
| Molecular Formula: | C19 H21 N3 O3 S2 |
| Smiles: | CCCCC1=NN2C(=NC(COC(CSc3ccc(C)cc3)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 4.4229 |
| logD: | 4.422 |
| logSw: | -4.2444 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 58.708 |
| InChI Key: | IKGVILOFTLXTBY-UHFFFAOYSA-N |