2-[2-(azocan-1-yl)-2-oxoethylidene]-4-(prop-2-en-1-yl)-2H-1,4-benzothiazin-3(4H)-one
Chemical Structure Depiction of
2-[2-(azocan-1-yl)-2-oxoethylidene]-4-(prop-2-en-1-yl)-2H-1,4-benzothiazin-3(4H)-one
2-[2-(azocan-1-yl)-2-oxoethylidene]-4-(prop-2-en-1-yl)-2H-1,4-benzothiazin-3(4H)-one
Compound characteristics
| Compound ID: | V006-3193 |
| Compound Name: | 2-[2-(azocan-1-yl)-2-oxoethylidene]-4-(prop-2-en-1-yl)-2H-1,4-benzothiazin-3(4H)-one |
| Molecular Weight: | 356.49 |
| Molecular Formula: | C20 H24 N2 O2 S |
| Smiles: | C=CCN1C(/C(=C\C(N2CCCCCCC2)=O)Sc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1631 |
| logD: | 4.1631 |
| logSw: | -4.2022 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 32.043 |
| InChI Key: | OJNOEOGZLVLVQW-UHFFFAOYSA-N |