N-[2-(3,4-diethoxyphenyl)ethyl]-4-[(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene)methyl]benzamide
Chemical Structure Depiction of
N-[2-(3,4-diethoxyphenyl)ethyl]-4-[(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene)methyl]benzamide
N-[2-(3,4-diethoxyphenyl)ethyl]-4-[(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene)methyl]benzamide
Compound characteristics
| Compound ID: | K788-3184 |
| Compound Name: | N-[2-(3,4-diethoxyphenyl)ethyl]-4-[(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene)methyl]benzamide |
| Molecular Weight: | 488.61 |
| Molecular Formula: | C28 H28 N2 O4 S |
| Smiles: | CCOc1ccc(CCNC(c2ccc(\C=C3/C(Nc4ccccc4S3)=O)cc2)=O)cc1OCC |
| Stereo: | ACHIRAL |
| logP: | 3.9865 |
| logD: | 3.9865 |
| logSw: | -4.1371 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.52 |
| InChI Key: | FUFWPMMHUWWYIS-UHFFFAOYSA-N |