3-(4-ethoxyphenyl)-6-methyl-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-(4-ethoxyphenyl)-6-methyl-2-sulfanylidene-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
3-(4-ethoxyphenyl)-6-methyl-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: | C200-6731 |
| Compound Name: | 3-(4-ethoxyphenyl)-6-methyl-2-sulfanylidene-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 509.59 |
| Molecular Formula: | C22 H18 F3 N3 O2 S3 |
| Smiles: | CCOc1ccc(cc1)N1C2=C(C(N(C)C(=N2)SCc2cccc(c2)C(F)(F)F)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 5.2583 |
| logD: | 5.2583 |
| logSw: | -5.1367 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 34.727 |
| InChI Key: | KMEKTACOQGLLFI-UHFFFAOYSA-N |