5-{[(4-chlorophenyl)methyl]sulfanyl}-6-phenyl-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Chemical Structure Depiction of
5-{[(4-chlorophenyl)methyl]sulfanyl}-6-phenyl-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
5-{[(4-chlorophenyl)methyl]sulfanyl}-6-phenyl-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | A0018501 |
| Compound Name: | 5-{[(4-chlorophenyl)methyl]sulfanyl}-6-phenyl-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 562.05 |
| Molecular Formula: | C25 H15 Cl F3 N3 O S3 |
| Smiles: | C(c1ccc(cc1)[Cl])SC1=NC2=C(C(N1c1ccccc1)=O)SC(N2c1cccc(c1)C(F)(F)F)=S |
| Stereo: | ACHIRAL |
| logP: | 6.5619 |
| logD: | 6.5619 |
| logSw: | -6.5759 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 26.9545 |
| InChI Key: | BIWFCVJCICQUMF-UHFFFAOYSA-N |