3-benzoyl-2-ethyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 4-methylbenzoate
Chemical Structure Depiction of
3-benzoyl-2-ethyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 4-methylbenzoate
3-benzoyl-2-ethyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 4-methylbenzoate
Compound characteristics
| Compound ID: | D097-0026 |
| Compound Name: | 3-benzoyl-2-ethyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 4-methylbenzoate |
| Molecular Weight: | 447.51 |
| Molecular Formula: | C25 H21 N O5 S |
| Smiles: | CCN1C(=C(c2ccccc2S1(=O)=O)OC(c1ccc(C)cc1)=O)C(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8411 |
| logD: | 4.8411 |
| logSw: | -4.7188 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.831 |
| InChI Key: | VKEMDJZYPQQJIZ-UHFFFAOYSA-N |