(2-cyclohexyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 3,4,5-trimethoxybenzoate
Chemical Structure Depiction of
(2-cyclohexyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 3,4,5-trimethoxybenzoate
(2-cyclohexyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 3,4,5-trimethoxybenzoate
Compound characteristics
| Compound ID: | G265-0602 |
| Compound Name: | (2-cyclohexyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 3,4,5-trimethoxybenzoate |
| Molecular Weight: | 459.52 |
| Molecular Formula: | C22 H25 N3 O6 S |
| Smiles: | COc1cc(cc(c1OC)OC)C(=O)OCC1=CC(N2C(=N1)SC(C1CCCCC1)=N2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7774 |
| logD: | 3.7773 |
| logSw: | -3.9475 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 82.298 |
| InChI Key: | TVKRXWZXZKSUDY-UHFFFAOYSA-N |