5-{[(3-nitrophenyl)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-{[(3-nitrophenyl)methyl]sulfanyl}-6-phenyl-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
5-{[(3-nitrophenyl)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: | A0018471 |
| Compound Name: | 5-{[(3-nitrophenyl)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: | 572.61 |
| Molecular Formula: | C25 H15 F3 N4 O3 S3 |
| Smiles: | C(c1cccc(c1)[N+]([O-])=O)SC1=NC2=C(C(N1c1ccccc1)=O)SC(N2c1cccc(c1)C(F)(F)F)=S |
| Stereo: | ACHIRAL |
| logP: | 6.1069 |
| logD: | 6.1069 |
| logSw: | -6.1513 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 60.336 |
| InChI Key: | TUSJRUWUZOTIBA-UHFFFAOYSA-N |