3-acetyl-2-butyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl propanoate
Chemical Structure Depiction of
3-acetyl-2-butyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl propanoate
3-acetyl-2-butyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl propanoate
Compound characteristics
| Compound ID: | D316-0066 |
| Compound Name: | 3-acetyl-2-butyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl propanoate |
| Molecular Weight: | 351.42 |
| Molecular Formula: | C17 H21 N O5 S |
| Smiles: | CCCCN1C(=C(c2ccccc2S1(=O)=O)OC(CC)=O)C(C)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7252 |
| logD: | 2.7252 |
| logSw: | -3.4453 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.121 |
| InChI Key: | XGWDOSXHYVPDGO-UHFFFAOYSA-N |