[5-oxo-2-(thiophen-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 2-methylbenzoate
Chemical Structure Depiction of
[5-oxo-2-(thiophen-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 2-methylbenzoate
[5-oxo-2-(thiophen-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 2-methylbenzoate
Compound characteristics
| Compound ID: | G265-0701 |
| Compound Name: | [5-oxo-2-(thiophen-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 2-methylbenzoate |
| Molecular Weight: | 383.45 |
| Molecular Formula: | C18 H13 N3 O3 S2 |
| Smiles: | Cc1ccccc1C(=O)OCC1=CC(N2C(=N1)SC(c1cccs1)=N2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6285 |
| logD: | 3.6285 |
| logSw: | -3.9005 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.147 |
| InChI Key: | RSVATSPTWQLEJJ-UHFFFAOYSA-N |