N-[2-(3,4-diethoxyphenyl)ethyl]-2-{4-[(4-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl}propanamide
Chemical Structure Depiction of
N-[2-(3,4-diethoxyphenyl)ethyl]-2-{4-[(4-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl}propanamide
N-[2-(3,4-diethoxyphenyl)ethyl]-2-{4-[(4-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl}propanamide
Compound characteristics
| Compound ID: | C493-0635 |
| Compound Name: | N-[2-(3,4-diethoxyphenyl)ethyl]-2-{4-[(4-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl}propanamide |
| Molecular Weight: | 536.67 |
| Molecular Formula: | C30 H33 F N2 O4 S |
| Smiles: | CCOc1ccc(CCNC(C(C)C2C(N(Cc3ccc(cc3)F)c3ccccc3S2)=O)=O)cc1OCC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.4677 |
| logD: | 4.4677 |
| logSw: | -4.1673 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.016 |
| InChI Key: | QGIJOKDOPWEEGY-UHFFFAOYSA-N |