3-acetyl-1,1-dioxo-2-(propan-2-yl)-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2-methylpropanoate
Chemical Structure Depiction of
3-acetyl-1,1-dioxo-2-(propan-2-yl)-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2-methylpropanoate
3-acetyl-1,1-dioxo-2-(propan-2-yl)-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2-methylpropanoate
Compound characteristics
| Compound ID: | D316-0129 |
| Compound Name: | 3-acetyl-1,1-dioxo-2-(propan-2-yl)-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2-methylpropanoate |
| Molecular Weight: | 351.42 |
| Molecular Formula: | C17 H21 N O5 S |
| Smiles: | CC(C)C(=O)OC1=C(C(C)=O)N(C(C)C)S(c2ccccc12)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0951 |
| logD: | 3.0951 |
| logSw: | -3.564 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.853 |
| InChI Key: | ZJSURJNABRPGNB-UHFFFAOYSA-N |