(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 4-tert-butylbenzoate
Chemical Structure Depiction of
(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 4-tert-butylbenzoate
(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 4-tert-butylbenzoate
Compound characteristics
| Compound ID: | G265-0039 |
| Compound Name: | (2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 4-tert-butylbenzoate |
| Molecular Weight: | 357.43 |
| Molecular Formula: | C18 H19 N3 O3 S |
| Smiles: | CC1=NN2C(=NC(COC(c3ccc(cc3)C(C)(C)C)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 4.3237 |
| logD: | 4.3186 |
| logSw: | -4.3846 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.573 |
| InChI Key: | ABSHZECVDDUGDI-UHFFFAOYSA-N |