3-acetyl-1,1-dioxo-2-propyl-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2-bromobenzoate
Chemical Structure Depiction of
3-acetyl-1,1-dioxo-2-propyl-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2-bromobenzoate
3-acetyl-1,1-dioxo-2-propyl-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2-bromobenzoate
Compound characteristics
| Compound ID: | D316-0054 |
| Compound Name: | 3-acetyl-1,1-dioxo-2-propyl-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2-bromobenzoate |
| Molecular Weight: | 464.33 |
| Molecular Formula: | C20 H18 Br N O5 S |
| Smiles: | CCCN1C(=C(c2ccccc2S1(=O)=O)OC(c1ccccc1[Br])=O)C(C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8559 |
| logD: | 3.8559 |
| logSw: | -3.9724 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.444 |
| InChI Key: | SUPBEIXRDRSNPM-UHFFFAOYSA-N |