[4-(trifluoromethyl)phenyl]methyl 2-benzyl-5-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-4-carboxylate
Chemical Structure Depiction of
[4-(trifluoromethyl)phenyl]methyl 2-benzyl-5-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-4-carboxylate
[4-(trifluoromethyl)phenyl]methyl 2-benzyl-5-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-4-carboxylate
Compound characteristics
| Compound ID: | S342-0553 |
| Compound Name: | [4-(trifluoromethyl)phenyl]methyl 2-benzyl-5-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-4-carboxylate |
| Molecular Weight: | 438.42 |
| Molecular Formula: | C20 H17 F3 N2 O4 S |
| Smiles: | CC1C(=CN(Cc2ccccc2)S(N=1)(=O)=O)C(=O)OCc1ccc(cc1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 3.4232 |
| logD: | 3.4232 |
| logSw: | -3.7207 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.356 |
| InChI Key: | IBZDKWLRGUQYQF-UHFFFAOYSA-N |