(2-cyclopropyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 4-bromobenzoate
Chemical Structure Depiction of
(2-cyclopropyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 4-bromobenzoate
(2-cyclopropyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 4-bromobenzoate
Compound characteristics
| Compound ID: | G265-0360 |
| Compound Name: | (2-cyclopropyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 4-bromobenzoate |
| Molecular Weight: | 406.26 |
| Molecular Formula: | C16 H12 Br N3 O3 S |
| Smiles: | C1CC1C1=NN2C(=NC(COC(c3ccc(cc3)[Br])=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.9837 |
| logD: | 3.9767 |
| logSw: | -4.3577 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.652 |
| InChI Key: | BNFYSRPRTHSOSC-UHFFFAOYSA-N |