(2-cyclohexyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 2-bromobenzoate
Chemical Structure Depiction of
(2-cyclohexyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 2-bromobenzoate
(2-cyclohexyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 2-bromobenzoate
Compound characteristics
| Compound ID: | G265-0567 |
| Compound Name: | (2-cyclohexyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 2-bromobenzoate |
| Molecular Weight: | 448.34 |
| Molecular Formula: | C19 H18 Br N3 O3 S |
| Smiles: | C1CCC(CC1)C1=NN2C(=NC(COC(c3ccccc3[Br])=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 4.4517 |
| logD: | 4.4516 |
| logSw: | -4.5543 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.32 |
| InChI Key: | JTXZYJLSHRSBRI-UHFFFAOYSA-N |