3-benzoyl-2-(2-ethoxy-2-oxoethyl)-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2-methylpropanoate
Chemical Structure Depiction of
3-benzoyl-2-(2-ethoxy-2-oxoethyl)-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2-methylpropanoate
3-benzoyl-2-(2-ethoxy-2-oxoethyl)-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2-methylpropanoate
Compound characteristics
| Compound ID: | D239-0146 |
| Compound Name: | 3-benzoyl-2-(2-ethoxy-2-oxoethyl)-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2-methylpropanoate |
| Molecular Weight: | 457.5 |
| Molecular Formula: | C23 H23 N O7 S |
| Smiles: | CCOC(CN1C(=C(c2ccccc2S1(=O)=O)OC(C(C)C)=O)C(c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7457 |
| logD: | 3.7457 |
| logSw: | -4.0515 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 86.536 |
| InChI Key: | AQTARBANTZCKNL-UHFFFAOYSA-N |