[5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 3-methylbenzoate
Chemical Structure Depiction of
[5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 3-methylbenzoate
[5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 3-methylbenzoate
Compound characteristics
| Compound ID: | G265-0082 |
| Compound Name: | [5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 3-methylbenzoate |
| Molecular Weight: | 343.4 |
| Molecular Formula: | C17 H17 N3 O3 S |
| Smiles: | CC(C)C1=NN2C(=NC(COC(c3cccc(C)c3)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.6057 |
| logD: | 3.5974 |
| logSw: | -3.7188 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.4 |
| InChI Key: | BTMCNNVEQUGTLL-UHFFFAOYSA-N |