N,N-diethyl-2-({6-(2-methoxyphenyl)-7-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N,N-diethyl-2-({6-(2-methoxyphenyl)-7-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl}sulfanyl)acetamide
N,N-diethyl-2-({6-(2-methoxyphenyl)-7-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | K286-0231 |
| Compound Name: | N,N-diethyl-2-({6-(2-methoxyphenyl)-7-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl}sulfanyl)acetamide |
| Molecular Weight: | 580.67 |
| Molecular Formula: | C25 H23 F3 N4 O3 S3 |
| Smiles: | CCN(CC)C(CSC1=NC2=C(C(N1c1ccccc1OC)=O)SC(N2c1cccc(c1)C(F)(F)F)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.767 |
| logD: | 4.767 |
| logSw: | -4.6129 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 49.96 |
| InChI Key: | CKLUZUSSLWHIIH-UHFFFAOYSA-N |