7-[(4-chloro-3,5-dimethylphenoxy)methyl]-2-ethyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
7-[(4-chloro-3,5-dimethylphenoxy)methyl]-2-ethyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
7-[(4-chloro-3,5-dimethylphenoxy)methyl]-2-ethyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | C679-3536 |
| Compound Name: | 7-[(4-chloro-3,5-dimethylphenoxy)methyl]-2-ethyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 349.84 |
| Molecular Formula: | C16 H16 Cl N3 O2 S |
| Smiles: | CCC1=NN2C(=NC(COc3cc(C)c(c(C)c3)[Cl])=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 4.2705 |
| logD: | 4.264 |
| logSw: | -4.7148 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.673 |
| InChI Key: | HQTWEVCHFLYCMH-UHFFFAOYSA-N |