3-benzoyl-2-ethyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl acetate
Chemical Structure Depiction of
3-benzoyl-2-ethyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl acetate
3-benzoyl-2-ethyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl acetate
Compound characteristics
| Compound ID: | D097-0032 |
| Compound Name: | 3-benzoyl-2-ethyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl acetate |
| Molecular Weight: | 371.41 |
| Molecular Formula: | C19 H17 N O5 S |
| Smiles: | CCN1C(=C(c2ccccc2S1(=O)=O)OC(C)=O)C(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9001 |
| logD: | 2.9001 |
| logSw: | -3.6301 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.204 |
| InChI Key: | DWDCPJVAHFTNEC-UHFFFAOYSA-N |