3-benzoyl-2-ethyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 4-methoxybenzoate
Chemical Structure Depiction of
3-benzoyl-2-ethyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 4-methoxybenzoate
3-benzoyl-2-ethyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 4-methoxybenzoate
Compound characteristics
| Compound ID: | D097-0025 |
| Compound Name: | 3-benzoyl-2-ethyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 4-methoxybenzoate |
| Molecular Weight: | 463.51 |
| Molecular Formula: | C25 H21 N O6 S |
| Smiles: | CCN1C(=C(c2ccccc2S1(=O)=O)OC(c1ccc(cc1)OC)=O)C(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4001 |
| logD: | 4.4001 |
| logSw: | -4.396 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 73.375 |
| InChI Key: | XKQPPJVHTPVELT-UHFFFAOYSA-N |