4-(2,3-dihydro-4H-1,4-benzothiazin-4-yl)-N-[(2,3-dimethoxyphenyl)methyl]-4-oxobutanamide
Chemical Structure Depiction of
4-(2,3-dihydro-4H-1,4-benzothiazin-4-yl)-N-[(2,3-dimethoxyphenyl)methyl]-4-oxobutanamide
4-(2,3-dihydro-4H-1,4-benzothiazin-4-yl)-N-[(2,3-dimethoxyphenyl)methyl]-4-oxobutanamide
Compound characteristics
| Compound ID: | E539-0291 |
| Compound Name: | 4-(2,3-dihydro-4H-1,4-benzothiazin-4-yl)-N-[(2,3-dimethoxyphenyl)methyl]-4-oxobutanamide |
| Molecular Weight: | 400.5 |
| Molecular Formula: | C21 H24 N2 O4 S |
| Smiles: | COc1cccc(CNC(CCC(N2CCSc3ccccc23)=O)=O)c1OC |
| Stereo: | ACHIRAL |
| logP: | 2.6061 |
| logD: | 2.6061 |
| logSw: | -3.0688 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.843 |
| InChI Key: | QXTNYMOEOYCZFN-UHFFFAOYSA-N |