[5-oxo-2-(thiophen-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 4-methoxybenzoate
Chemical Structure Depiction of
[5-oxo-2-(thiophen-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 4-methoxybenzoate
[5-oxo-2-(thiophen-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 4-methoxybenzoate
Compound characteristics
| Compound ID: | G265-0720 |
| Compound Name: | [5-oxo-2-(thiophen-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 4-methoxybenzoate |
| Molecular Weight: | 399.45 |
| Molecular Formula: | C18 H13 N3 O4 S2 |
| Smiles: | COc1ccc(cc1)C(=O)OCC1=CC(N2C(=N1)SC(c1cccs1)=N2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5047 |
| logD: | 3.5047 |
| logSw: | -3.6514 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.69 |
| InChI Key: | VCUUVBNTKCRSIE-UHFFFAOYSA-N |