(2-cyclopropyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 4-tert-butylbenzoate
Chemical Structure Depiction of
(2-cyclopropyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 4-tert-butylbenzoate
(2-cyclopropyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 4-tert-butylbenzoate
Compound characteristics
| Compound ID: | G265-0349 |
| Compound Name: | (2-cyclopropyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 4-tert-butylbenzoate |
| Molecular Weight: | 383.47 |
| Molecular Formula: | C20 H21 N3 O3 S |
| Smiles: | CC(C)(C)c1ccc(cc1)C(=O)OCC1=CC(N2C(=N1)SC(C1CC1)=N2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9443 |
| logD: | 4.9373 |
| logSw: | -4.7404 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.652 |
| InChI Key: | PNOOFJUISUPWQJ-UHFFFAOYSA-N |