2-benzylidene-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(4-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
Chemical Structure Depiction of
2-benzylidene-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(4-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
2-benzylidene-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(4-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
Compound characteristics
| Compound ID: | K788-8722 |
| Compound Name: | 2-benzylidene-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(4-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide |
| Molecular Weight: | 568.67 |
| Molecular Formula: | C33 H29 F N2 O4 S |
| Smiles: | COc1ccc(CCNC(c2ccc3c(c2)N(Cc2ccc(cc2)F)C(/C(=C/c2ccccc2)S3)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 5.7233 |
| logD: | 5.7233 |
| logSw: | -5.4514 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.585 |
| InChI Key: | JCEUDVYAJUJZMT-UHFFFAOYSA-N |