3-acetyl-1,1-dioxo-2-(propan-2-yl)-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl butanoate
Chemical Structure Depiction of
3-acetyl-1,1-dioxo-2-(propan-2-yl)-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl butanoate
3-acetyl-1,1-dioxo-2-(propan-2-yl)-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl butanoate
Compound characteristics
| Compound ID: | D316-0131 |
| Compound Name: | 3-acetyl-1,1-dioxo-2-(propan-2-yl)-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl butanoate |
| Molecular Weight: | 351.42 |
| Molecular Formula: | C17 H21 N O5 S |
| Smiles: | CCCC(=O)OC1=C(C(C)=O)N(C(C)C)S(c2ccccc12)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0926 |
| logD: | 3.0926 |
| logSw: | -3.4949 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.258 |
| InChI Key: | OHCILXYBNGGYNS-UHFFFAOYSA-N |