4-({4-[(2,5-dimethylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide
Chemical Structure Depiction of
4-({4-[(2,5-dimethylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide
4-({4-[(2,5-dimethylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide
Compound characteristics
| Compound ID: | C700-0119 |
| Compound Name: | 4-({4-[(2,5-dimethylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide |
| Molecular Weight: | 553.77 |
| Molecular Formula: | C34 H39 N3 O2 S |
| Smiles: | CC1CCCN(CCCNC(c2ccc(/C=C3/C(N(Cc4cc(C)ccc4C)c4ccccc4S3)=O)cc2)=O)C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.7774 |
| logD: | 4.2058 |
| logSw: | -5.4788 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.24 |
| InChI Key: | XTTQKHFKHXWBCB-VWLOTQADSA-N |