3-phenyl-2-sulfanylidene-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Chemical Structure Depiction of
3-phenyl-2-sulfanylidene-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
3-phenyl-2-sulfanylidene-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | F092-0375 |
| Compound Name: | 3-phenyl-2-sulfanylidene-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 451.51 |
| Molecular Formula: | C19 H12 F3 N3 O S3 |
| Smiles: | C(c1cccc(c1)C(F)(F)F)SC1NC(C2=C(N=1)N(C(=S)S2)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5232 |
| logD: | 4.5223 |
| logSw: | -4.4218 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.296 |
| InChI Key: | GXPXFYQSBIWSEW-UHFFFAOYSA-N |