ethyl 2-{2-[(6-methyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
ethyl 2-{2-[(6-methyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]acetamido}benzoate
ethyl 2-{2-[(6-methyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | K261-1800 |
| Compound Name: | ethyl 2-{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(c1ccccc1NC(CSC1Nc2cc(C)ccc2S(N=1)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8862 |
| logD: | 2.8482 |
| logSw: | -3.4696 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.911 |
| InChI Key: | RMNFMRJRCAGWRM-UHFFFAOYSA-N |