(2Z)-4-[(2,5-dimethylphenyl)methyl]-2-{[4-(3,5-dimethylpiperidine-1-carbonyl)phenyl]methylidene}-2H-1,4-benzothiazin-3(4H)-one
Chemical Structure Depiction of
(2Z)-4-[(2,5-dimethylphenyl)methyl]-2-{[4-(3,5-dimethylpiperidine-1-carbonyl)phenyl]methylidene}-2H-1,4-benzothiazin-3(4H)-one
(2Z)-4-[(2,5-dimethylphenyl)methyl]-2-{[4-(3,5-dimethylpiperidine-1-carbonyl)phenyl]methylidene}-2H-1,4-benzothiazin-3(4H)-one
Compound characteristics
| Compound ID: | C700-0108 |
| Compound Name: | (2Z)-4-[(2,5-dimethylphenyl)methyl]-2-{[4-(3,5-dimethylpiperidine-1-carbonyl)phenyl]methylidene}-2H-1,4-benzothiazin-3(4H)-one |
| Molecular Weight: | 510.7 |
| Molecular Formula: | C32 H34 N2 O2 S |
| Smiles: | CC1CC(C)CN(C1)C(c1ccc(/C=C2/C(N(Cc3cc(C)ccc3C)c3ccccc3S2)=O)cc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 7.4839 |
| logD: | 7.4839 |
| logSw: | -5.5602 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 31.5847 |
| InChI Key: | CXFSTEOOSVVZQQ-UHFFFAOYSA-N |