2-[(4-chloro-3,5-dimethylphenoxy)methyl]-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
Chemical Structure Depiction of
2-[(4-chloro-3,5-dimethylphenoxy)methyl]-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
2-[(4-chloro-3,5-dimethylphenoxy)methyl]-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
Compound characteristics
| Compound ID: | Y205-8135 |
| Compound Name: | 2-[(4-chloro-3,5-dimethylphenoxy)methyl]-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one |
| Molecular Weight: | 371.84 |
| Molecular Formula: | C18 H14 Cl N3 O2 S |
| Smiles: | Cc1cc(cc(C)c1[Cl])OCC1=NN2C(=Nc3ccccc3C2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 4.4354 |
| logD: | 4.4353 |
| logSw: | -4.7821 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.933 |
| InChI Key: | YYYVIYWEEBUXQY-UHFFFAOYSA-N |