(2-cyclohexyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 4-bromobenzoate
Chemical Structure Depiction of
(2-cyclohexyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 4-bromobenzoate
(2-cyclohexyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 4-bromobenzoate
Compound characteristics
| Compound ID: | G265-0608 |
| Compound Name: | (2-cyclohexyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 4-bromobenzoate |
| Molecular Weight: | 448.34 |
| Molecular Formula: | C19 H18 Br N3 O3 S |
| Smiles: | C1CCC(CC1)C1=NN2C(=NC(COC(c3ccc(cc3)[Br])=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 5.1799 |
| logD: | 5.1798 |
| logSw: | -5.2938 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.32 |
| InChI Key: | DLSFVCKKWZTIMA-UHFFFAOYSA-N |