(2-butyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 4-chlorobenzoate
Chemical Structure Depiction of
(2-butyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 4-chlorobenzoate
(2-butyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 4-chlorobenzoate
Compound characteristics
| Compound ID: | G265-0252 |
| Compound Name: | (2-butyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 4-chlorobenzoate |
| Molecular Weight: | 377.85 |
| Molecular Formula: | C17 H16 Cl N3 O3 S |
| Smiles: | CCCCC1=NN2C(=NC(COC(c3ccc(cc3)[Cl])=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 4.4715 |
| logD: | 4.4706 |
| logSw: | -4.6363 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.304 |
| InChI Key: | ZHZODQCDOQRLRE-UHFFFAOYSA-N |