2-butyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2-methylpropanoate
Chemical Structure Depiction of
2-butyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2-methylpropanoate
2-butyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2-methylpropanoate
Compound characteristics
| Compound ID: | D316-0317 |
| Compound Name: | 2-butyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2-methylpropanoate |
| Molecular Weight: | 323.41 |
| Molecular Formula: | C16 H21 N O4 S |
| Smiles: | CCCCN1C=C(c2ccccc2S1(=O)=O)OC(C(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1969 |
| logD: | 3.1969 |
| logSw: | -3.698 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.753 |
| InChI Key: | UDVHVOIMVGUMQF-UHFFFAOYSA-N |