7-[(4-chloro-2-methylphenoxy)methyl]-2-(3-methylphenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
7-[(4-chloro-2-methylphenoxy)methyl]-2-(3-methylphenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
7-[(4-chloro-2-methylphenoxy)methyl]-2-(3-methylphenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | C679-3725 |
| Compound Name: | 7-[(4-chloro-2-methylphenoxy)methyl]-2-(3-methylphenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 397.88 |
| Molecular Formula: | C20 H16 Cl N3 O2 S |
| Smiles: | Cc1cccc(c1)C1=NN2C(=NC(COc3ccc(cc3C)[Cl])=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 5.2726 |
| logD: | 5.2722 |
| logSw: | -5.8626 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.585 |
| InChI Key: | QVTWXQKIWRZYCR-UHFFFAOYSA-N |