5-methyl-1,1-dioxo-2-{[2-(trifluoromethyl)phenyl]methyl}-1,2-dihydro-1lambda~6~,2,6-thiadiazine-4-carboxylic acid
Chemical Structure Depiction of
5-methyl-1,1-dioxo-2-{[2-(trifluoromethyl)phenyl]methyl}-1,2-dihydro-1lambda~6~,2,6-thiadiazine-4-carboxylic acid
5-methyl-1,1-dioxo-2-{[2-(trifluoromethyl)phenyl]methyl}-1,2-dihydro-1lambda~6~,2,6-thiadiazine-4-carboxylic acid
Compound characteristics
| Compound ID: | S364-0063 |
| Compound Name: | 5-methyl-1,1-dioxo-2-{[2-(trifluoromethyl)phenyl]methyl}-1,2-dihydro-1lambda~6~,2,6-thiadiazine-4-carboxylic acid |
| Molecular Weight: | 348.3 |
| Molecular Formula: | C13 H11 F3 N2 O4 S |
| Smiles: | CC1C(=CN(Cc2ccccc2C(F)(F)F)S(N=1)(=O)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0807 |
| logD: | -4.6004 |
| logSw: | -2.4144 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.907 |
| InChI Key: | FPOUIMKWYWCDCE-UHFFFAOYSA-N |