3-benzoyl-2-ethyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 3,4-dimethoxybenzoate
Chemical Structure Depiction of
3-benzoyl-2-ethyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 3,4-dimethoxybenzoate
3-benzoyl-2-ethyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 3,4-dimethoxybenzoate
Compound characteristics
| Compound ID: | D097-0022 |
| Compound Name: | 3-benzoyl-2-ethyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 3,4-dimethoxybenzoate |
| Molecular Weight: | 493.53 |
| Molecular Formula: | C26 H23 N O7 S |
| Smiles: | CCN1C(=C(c2ccccc2S1(=O)=O)OC(c1ccc(c(c1)OC)OC)=O)C(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9217 |
| logD: | 3.9217 |
| logSw: | -4.0524 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 81.092 |
| InChI Key: | LJCOKHRRNCCURA-UHFFFAOYSA-N |