2-[(2,5-dimethylphenyl)methyl]-6-{[3-(trifluoromethyl)phenyl]methyl}-1lambda~6~,2,6-thiadiazinane-1,1-dione
Chemical Structure Depiction of
2-[(2,5-dimethylphenyl)methyl]-6-{[3-(trifluoromethyl)phenyl]methyl}-1lambda~6~,2,6-thiadiazinane-1,1-dione
2-[(2,5-dimethylphenyl)methyl]-6-{[3-(trifluoromethyl)phenyl]methyl}-1lambda~6~,2,6-thiadiazinane-1,1-dione
Compound characteristics
Compound ID: | E871-0305 |
Compound Name: | 2-[(2,5-dimethylphenyl)methyl]-6-{[3-(trifluoromethyl)phenyl]methyl}-1lambda~6~,2,6-thiadiazinane-1,1-dione |
Molecular Weight: | 412.47 |
Molecular Formula: | C20 H23 F3 N2 O2 S |
Smiles: | Cc1ccc(C)c(CN2CCCN(Cc3cccc(c3)C(F)(F)F)S2(=O)=O)c1 |
Stereo: | ACHIRAL |
logP: | 4.792 |
logD: | 4.792 |
logSw: | -4.6731 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 36.379 |
InChI Key: | LIBMBTYEGIGJDY-UHFFFAOYSA-N |