(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 4-bromobenzoate
Chemical Structure Depiction of
(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 4-bromobenzoate
(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 4-bromobenzoate
Compound characteristics
| Compound ID: | G265-0050 |
| Compound Name: | (2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 4-bromobenzoate |
| Molecular Weight: | 380.22 |
| Molecular Formula: | C14 H10 Br N3 O3 S |
| Smiles: | CC1=NN2C(=NC(COC(c3ccc(cc3)[Br])=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.3631 |
| logD: | 3.358 |
| logSw: | -3.4872 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.573 |
| InChI Key: | KMLGMEDUWHOKRV-UHFFFAOYSA-N |