6-phenyl-5-{[(pyridin-4-yl)methyl]sulfanyl}-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Chemical Structure Depiction of
6-phenyl-5-{[(pyridin-4-yl)methyl]sulfanyl}-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
6-phenyl-5-{[(pyridin-4-yl)methyl]sulfanyl}-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | A0018491 |
| Compound Name: | 6-phenyl-5-{[(pyridin-4-yl)methyl]sulfanyl}-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 528.6 |
| Molecular Formula: | C24 H15 F3 N4 O S3 |
| Smiles: | C(c1ccncc1)SC1=NC2=C(C(N1c1ccccc1)=O)SC(N2c1cccc(c1)C(F)(F)F)=S |
| Stereo: | ACHIRAL |
| logP: | 4.6106 |
| logD: | 4.6036 |
| logSw: | -4.4759 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 36.383 |
| InChI Key: | HHAAFNXDNYWGCB-UHFFFAOYSA-N |