3-benzoyl-2-ethyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 4-fluorobenzoate
Chemical Structure Depiction of
3-benzoyl-2-ethyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 4-fluorobenzoate
3-benzoyl-2-ethyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 4-fluorobenzoate
Compound characteristics
| Compound ID: | D097-0027 |
| Compound Name: | 3-benzoyl-2-ethyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 4-fluorobenzoate |
| Molecular Weight: | 451.47 |
| Molecular Formula: | C24 H18 F N O5 S |
| Smiles: | CCN1C(=C(c2ccccc2S1(=O)=O)OC(c1ccc(cc1)F)=O)C(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4468 |
| logD: | 4.4468 |
| logSw: | -4.4261 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.831 |
| InChI Key: | QNVRYXYCWANQGV-UHFFFAOYSA-N |