2-{[4-(azepane-1-carbonyl)phenyl]methylidene}-4-[(2-methylphenyl)methyl]-2H-1,4-benzothiazin-3(4H)-one
Chemical Structure Depiction of
2-{[4-(azepane-1-carbonyl)phenyl]methylidene}-4-[(2-methylphenyl)methyl]-2H-1,4-benzothiazin-3(4H)-one
2-{[4-(azepane-1-carbonyl)phenyl]methylidene}-4-[(2-methylphenyl)methyl]-2H-1,4-benzothiazin-3(4H)-one
Compound characteristics
| Compound ID: | K788-9049 |
| Compound Name: | 2-{[4-(azepane-1-carbonyl)phenyl]methylidene}-4-[(2-methylphenyl)methyl]-2H-1,4-benzothiazin-3(4H)-one |
| Molecular Weight: | 482.64 |
| Molecular Formula: | C30 H30 N2 O2 S |
| Smiles: | Cc1ccccc1CN1C(/C(=C\c2ccc(cc2)C(N2CCCCCC2)=O)Sc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 6.6715 |
| logD: | 6.6715 |
| logSw: | -5.5153 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 32.049 |
| InChI Key: | DMPDHRLSRGPZGD-UHFFFAOYSA-N |