2-butyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 4-bromobenzoate
Chemical Structure Depiction of
2-butyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 4-bromobenzoate
2-butyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 4-bromobenzoate
Compound characteristics
| Compound ID: | D316-0330 |
| Compound Name: | 2-butyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 4-bromobenzoate |
| Molecular Weight: | 436.32 |
| Molecular Formula: | C19 H18 Br N O4 S |
| Smiles: | CCCCN1C=C(c2ccccc2S1(=O)=O)OC(c1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.5034 |
| logD: | 4.5034 |
| logSw: | -4.2469 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.481 |
| InChI Key: | XYGNWKTVNWJGDP-UHFFFAOYSA-N |