ethyl 4-{2-[(6-methyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
ethyl 4-{2-[(6-methyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]acetamido}benzoate
ethyl 4-{2-[(6-methyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | K261-1791 |
| Compound Name: | ethyl 4-{2-[(6-methyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 433.5 |
| Molecular Formula: | C19 H19 N3 O5 S2 |
| Smiles: | CCOC(c1ccc(cc1)NC(CSC1Nc2cc(C)ccc2S(N=1)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2193 |
| logD: | 3.1814 |
| logSw: | -3.373 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.609 |
| InChI Key: | BXEDSACCYTYPFZ-UHFFFAOYSA-N |