methyl 4-{2-[2-(4-chlorophenyl)ethyl]-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazin-3-yl}benzoate
Chemical Structure Depiction of
methyl 4-{2-[2-(4-chlorophenyl)ethyl]-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazin-3-yl}benzoate
methyl 4-{2-[2-(4-chlorophenyl)ethyl]-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazin-3-yl}benzoate
Compound characteristics
| Compound ID: | F475-0827 |
| Compound Name: | methyl 4-{2-[2-(4-chlorophenyl)ethyl]-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazin-3-yl}benzoate |
| Molecular Weight: | 456.95 |
| Molecular Formula: | C23 H21 Cl N2 O4 S |
| Smiles: | COC(c1ccc(cc1)C1Nc2ccccc2S(N1CCc1ccc(cc1)[Cl])(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0268 |
| logD: | 5.0268 |
| logSw: | -5.2868 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.188 |
| InChI Key: | DLDUUCSSUWIDPK-QFIPXVFZSA-N |