3-acetyl-2-benzyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl propanoate
Chemical Structure Depiction of
3-acetyl-2-benzyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl propanoate
3-acetyl-2-benzyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl propanoate
Compound characteristics
| Compound ID: | D316-0008 |
| Compound Name: | 3-acetyl-2-benzyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl propanoate |
| Molecular Weight: | 385.44 |
| Molecular Formula: | C20 H19 N O5 S |
| Smiles: | CCC(=O)OC1=C(C(C)=O)N(Cc2ccccc2)S(c2ccccc12)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0593 |
| logD: | 3.0593 |
| logSw: | -3.5177 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.871 |
| InChI Key: | ZURSFQPYDKDYIU-UHFFFAOYSA-N |