(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 3-methylbenzoate
Chemical Structure Depiction of
(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 3-methylbenzoate
(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 3-methylbenzoate
Compound characteristics
| Compound ID: | G265-0144 |
| Compound Name: | (2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 3-methylbenzoate |
| Molecular Weight: | 329.38 |
| Molecular Formula: | C16 H15 N3 O3 S |
| Smiles: | CCC1=NN2C(=NC(COC(c3cccc(C)c3)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.1514 |
| logD: | 3.1449 |
| logSw: | -3.1166 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.304 |
| InChI Key: | MBEIYEICRVGRLQ-UHFFFAOYSA-N |