(5-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 4-methylbenzoate
Chemical Structure Depiction of
(5-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 4-methylbenzoate
(5-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 4-methylbenzoate
Compound characteristics
| Compound ID: | G265-0875 |
| Compound Name: | (5-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 4-methylbenzoate |
| Molecular Weight: | 343.4 |
| Molecular Formula: | C17 H17 N3 O3 S |
| Smiles: | CCCC1=NN2C(=NC(COC(c3ccc(C)cc3)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.8608 |
| logD: | 3.8567 |
| logSw: | -3.9465 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.304 |
| InChI Key: | UKKICIKBVHFFDR-UHFFFAOYSA-N |