7-[(4-chloro-3-methylphenoxy)methyl]-2-ethyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
7-[(4-chloro-3-methylphenoxy)methyl]-2-ethyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
7-[(4-chloro-3-methylphenoxy)methyl]-2-ethyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | C679-3527 |
| Compound Name: | 7-[(4-chloro-3-methylphenoxy)methyl]-2-ethyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 335.81 |
| Molecular Formula: | C15 H14 Cl N3 O2 S |
| Smiles: | CCC1=NN2C(=NC(COc3ccc(c(C)c3)[Cl])=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.919 |
| logD: | 3.9125 |
| logSw: | -4.2175 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.673 |
| InChI Key: | HRQUDJPZTYDLQF-UHFFFAOYSA-N |