4-[(Z)-{4-[(2,5-dimethylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl]-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]benzamide
Chemical Structure Depiction of
4-[(Z)-{4-[(2,5-dimethylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl]-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]benzamide
4-[(Z)-{4-[(2,5-dimethylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl]-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]benzamide
Compound characteristics
| Compound ID: | C700-0131 |
| Compound Name: | 4-[(Z)-{4-[(2,5-dimethylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl]-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]benzamide |
| Molecular Weight: | 567.79 |
| Molecular Formula: | C35 H41 N3 O2 S |
| Smiles: | CC1CC(C)CN(CCCNC(c2ccc(/C=C3/C(N(Cc4cc(C)ccc4C)c4ccccc4S3)=O)cc2)=O)C1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 7.3298 |
| logD: | 4.7829 |
| logSw: | -5.4799 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.174 |
| InChI Key: | VZIUJJUFRSEIFC-UHFFFAOYSA-N |