[2-(2-methylpropyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl (2-chlorophenoxy)acetate
Chemical Structure Depiction of
[2-(2-methylpropyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl (2-chlorophenoxy)acetate
[2-(2-methylpropyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl (2-chlorophenoxy)acetate
Compound characteristics
| Compound ID: | G265-0216 |
| Compound Name: | [2-(2-methylpropyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl (2-chlorophenoxy)acetate |
| Molecular Weight: | 407.87 |
| Molecular Formula: | C18 H18 Cl N3 O4 S |
| Smiles: | CC(C)CC1=NN2C(=NC(COC(COc3ccccc3[Cl])=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.4504 |
| logD: | 3.4479 |
| logSw: | -3.6262 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.294 |
| InChI Key: | PVYTXWIQCMJYCP-UHFFFAOYSA-N |