3-acetyl-2-benzyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2,2-dimethylpropanoate
Chemical Structure Depiction of
3-acetyl-2-benzyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2,2-dimethylpropanoate
3-acetyl-2-benzyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2,2-dimethylpropanoate
Compound characteristics
| Compound ID: | D316-0010 |
| Compound Name: | 3-acetyl-2-benzyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2,2-dimethylpropanoate |
| Molecular Weight: | 413.49 |
| Molecular Formula: | C22 H23 N O5 S |
| Smiles: | CC(C1=C(c2ccccc2S(N1Cc1ccccc1)(=O)=O)OC(C(C)(C)C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0525 |
| logD: | 4.0525 |
| logSw: | -4.3024 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.466 |
| InChI Key: | ZKQDFAJUHLTVAG-UHFFFAOYSA-N |