3-benzoyl-1,1-dioxo-2-(prop-2-en-1-yl)-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2-bromobenzoate
Chemical Structure Depiction of
3-benzoyl-1,1-dioxo-2-(prop-2-en-1-yl)-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2-bromobenzoate
3-benzoyl-1,1-dioxo-2-(prop-2-en-1-yl)-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2-bromobenzoate
Compound characteristics
| Compound ID: | 6405-0051 |
| Compound Name: | 3-benzoyl-1,1-dioxo-2-(prop-2-en-1-yl)-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2-bromobenzoate |
| Molecular Weight: | 524.39 |
| Molecular Formula: | C25 H18 Br N O5 S |
| Smiles: | C=CCN1C(=C(c2ccccc2S1(=O)=O)OC(c1ccccc1[Br])=O)C(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1864 |
| logD: | 5.1864 |
| logSw: | -5.4343 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.085 |
| InChI Key: | RGKSOYUYZNMYDT-UHFFFAOYSA-N |