(2-cyclohexyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 4-ethoxybenzoate
Chemical Structure Depiction of
(2-cyclohexyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 4-ethoxybenzoate
(2-cyclohexyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 4-ethoxybenzoate
Compound characteristics
| Compound ID: | G265-0613 |
| Compound Name: | (2-cyclohexyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 4-ethoxybenzoate |
| Molecular Weight: | 413.49 |
| Molecular Formula: | C21 H23 N3 O4 S |
| Smiles: | CCOc1ccc(cc1)C(=O)OCC1=CC(N2C(=N1)SC(C1CCCCC1)=N2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.715 |
| logD: | 4.7149 |
| logSw: | -4.3751 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.444 |
| InChI Key: | ASSIDIFQMBAFPP-UHFFFAOYSA-N |