2-{4-[(2,5-dimethylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl}-N-{3-[(propan-2-yl)oxy]propyl}propanamide
Chemical Structure Depiction of
2-{4-[(2,5-dimethylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl}-N-{3-[(propan-2-yl)oxy]propyl}propanamide
2-{4-[(2,5-dimethylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl}-N-{3-[(propan-2-yl)oxy]propyl}propanamide
Compound characteristics
| Compound ID: | C493-1101 |
| Compound Name: | 2-{4-[(2,5-dimethylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl}-N-{3-[(propan-2-yl)oxy]propyl}propanamide |
| Molecular Weight: | 454.63 |
| Molecular Formula: | C26 H34 N2 O3 S |
| Smiles: | CC(C1C(N(Cc2cc(C)ccc2C)c2ccccc2S1)=O)C(NCCCOC(C)C)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.7092 |
| logD: | 4.7092 |
| logSw: | -4.3003 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.069 |
| InChI Key: | IUFCZFAFMPSWRM-UHFFFAOYSA-N |