(2-cyclohexyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl [(4-methylphenyl)sulfanyl]acetate
Chemical Structure Depiction of
(2-cyclohexyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl [(4-methylphenyl)sulfanyl]acetate
(2-cyclohexyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl [(4-methylphenyl)sulfanyl]acetate
Compound characteristics
| Compound ID: | G265-0591 |
| Compound Name: | (2-cyclohexyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl [(4-methylphenyl)sulfanyl]acetate |
| Molecular Weight: | 429.56 |
| Molecular Formula: | C21 H23 N3 O3 S2 |
| Smiles: | Cc1ccc(cc1)SCC(=O)OCC1=CC(N2C(=N1)SC(C1CCCCC1)=N2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8921 |
| logD: | 4.892 |
| logSw: | -4.5548 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 58.726 |
| InChI Key: | HTXQLKARDBEFQF-UHFFFAOYSA-N |