(3-methylphenyl)methyl 4-(1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazin-3-yl)benzoate
Chemical Structure Depiction of
(3-methylphenyl)methyl 4-(1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazin-3-yl)benzoate
(3-methylphenyl)methyl 4-(1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazin-3-yl)benzoate
Compound characteristics
| Compound ID: | F475-0021 |
| Compound Name: | (3-methylphenyl)methyl 4-(1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazin-3-yl)benzoate |
| Molecular Weight: | 408.47 |
| Molecular Formula: | C22 H20 N2 O4 S |
| Smiles: | Cc1cccc(COC(c2ccc(cc2)C2Nc3ccccc3S(N2)(=O)=O)=O)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2316 |
| logD: | 4.2314 |
| logSw: | -4.5273 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.958 |
| InChI Key: | KBVIWNRCFBJOJD-NRFANRHFSA-N |