(2-cyclohexyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 3-methoxybenzoate
Chemical Structure Depiction of
(2-cyclohexyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 3-methoxybenzoate
(2-cyclohexyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 3-methoxybenzoate
Compound characteristics
| Compound ID: | G265-0598 |
| Compound Name: | (2-cyclohexyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 3-methoxybenzoate |
| Molecular Weight: | 399.47 |
| Molecular Formula: | C20 H21 N3 O4 S |
| Smiles: | COc1cccc(c1)C(=O)OCC1=CC(N2C(=N1)SC(C1CCCCC1)=N2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.288 |
| logD: | 4.2878 |
| logSw: | -4.4611 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.864 |
| InChI Key: | PAEYSEDPVAARPB-UHFFFAOYSA-N |