1,1-dioxo-2-propyl-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 4-bromobenzoate
Chemical Structure Depiction of
1,1-dioxo-2-propyl-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 4-bromobenzoate
1,1-dioxo-2-propyl-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 4-bromobenzoate
Compound characteristics
| Compound ID: | D316-0298 |
| Compound Name: | 1,1-dioxo-2-propyl-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 4-bromobenzoate |
| Molecular Weight: | 422.3 |
| Molecular Formula: | C18 H16 Br N O4 S |
| Smiles: | CCCN1C=C(c2ccccc2S1(=O)=O)OC(c1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.0391 |
| logD: | 4.0391 |
| logSw: | -4.157 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.481 |
| InChI Key: | DGNIJMZVCUVDCO-UHFFFAOYSA-N |