(2-cyclohexyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 4-methylbenzoate
Chemical Structure Depiction of
(2-cyclohexyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 4-methylbenzoate
(2-cyclohexyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 4-methylbenzoate
Compound characteristics
| Compound ID: | G265-0565 |
| Compound Name: | (2-cyclohexyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 4-methylbenzoate |
| Molecular Weight: | 383.47 |
| Molecular Formula: | C20 H21 N3 O3 S |
| Smiles: | Cc1ccc(cc1)C(=O)OCC1=CC(N2C(=N1)SC(C1CCCCC1)=N2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7694 |
| logD: | 4.7693 |
| logSw: | -4.6001 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.32 |
| InChI Key: | MCUWIUCNDBAFND-UHFFFAOYSA-N |