5-methyl-2-[(3-methylphenyl)methyl]-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-4-carboxylic acid
Chemical Structure Depiction of
5-methyl-2-[(3-methylphenyl)methyl]-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-4-carboxylic acid
5-methyl-2-[(3-methylphenyl)methyl]-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-4-carboxylic acid
Compound characteristics
| Compound ID: | S364-0045 |
| Compound Name: | 5-methyl-2-[(3-methylphenyl)methyl]-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-4-carboxylic acid |
| Molecular Weight: | 294.33 |
| Molecular Formula: | C13 H14 N2 O4 S |
| Smiles: | CC1C(=CN(Cc2cccc(C)c2)S(N=1)(=O)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.8085 |
| logD: | -4.8726 |
| logSw: | -1.9173 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.907 |
| InChI Key: | XMZYXFCLVHGYTR-UHFFFAOYSA-N |