(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 3-methylbenzoate
Chemical Structure Depiction of
(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 3-methylbenzoate
(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 3-methylbenzoate
Compound characteristics
| Compound ID: | G265-0020 |
| Compound Name: | (2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 3-methylbenzoate |
| Molecular Weight: | 315.35 |
| Molecular Formula: | C15 H13 N3 O3 S |
| Smiles: | CC1=NN2C(=NC(COC(c3cccc(C)c3)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 2.78 |
| logD: | 2.7749 |
| logSw: | -2.9974 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.573 |
| InChI Key: | IMLHOTVXHOMHMD-UHFFFAOYSA-N |