3-acetyl-2-butyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl phenylacetate
Chemical Structure Depiction of
3-acetyl-2-butyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl phenylacetate
3-acetyl-2-butyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl phenylacetate
Compound characteristics
| Compound ID: | D316-0072 |
| Compound Name: | 3-acetyl-2-butyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl phenylacetate |
| Molecular Weight: | 413.49 |
| Molecular Formula: | C22 H23 N O5 S |
| Smiles: | CCCCN1C(=C(c2ccccc2S1(=O)=O)OC(Cc1ccccc1)=O)C(C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7663 |
| logD: | 3.7663 |
| logSw: | -3.9598 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.849 |
| InChI Key: | NLZNPNSOJGHWCS-UHFFFAOYSA-N |