3-benzoyl-2-(2-methoxy-2-oxoethyl)-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 4-fluorobenzoate
Chemical Structure Depiction of
3-benzoyl-2-(2-methoxy-2-oxoethyl)-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 4-fluorobenzoate
3-benzoyl-2-(2-methoxy-2-oxoethyl)-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 4-fluorobenzoate
Compound characteristics
| Compound ID: | D239-0132 |
| Compound Name: | 3-benzoyl-2-(2-methoxy-2-oxoethyl)-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 4-fluorobenzoate |
| Molecular Weight: | 495.48 |
| Molecular Formula: | C25 H18 F N O7 S |
| Smiles: | COC(CN1C(=C(c2ccccc2S1(=O)=O)OC(c1ccc(cc1)F)=O)C(c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7126 |
| logD: | 3.7126 |
| logSw: | -4.1059 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 86.685 |
| InChI Key: | RYWWNIHPYYHRCO-UHFFFAOYSA-N |