3-acetyl-1,1-dioxo-2-(prop-2-en-1-yl)-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl phenylacetate
Chemical Structure Depiction of
3-acetyl-1,1-dioxo-2-(prop-2-en-1-yl)-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl phenylacetate
3-acetyl-1,1-dioxo-2-(prop-2-en-1-yl)-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl phenylacetate
Compound characteristics
| Compound ID: | D316-0119 |
| Compound Name: | 3-acetyl-1,1-dioxo-2-(prop-2-en-1-yl)-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl phenylacetate |
| Molecular Weight: | 397.45 |
| Molecular Formula: | C21 H19 N O5 S |
| Smiles: | CC(C1=C(c2ccccc2S(N1CC=C)(=O)=O)OC(Cc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1482 |
| logD: | 3.1482 |
| logSw: | -3.585 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.849 |
| InChI Key: | AKKDBEUHKBXFHX-UHFFFAOYSA-N |