2-{[4-(4-benzylpiperazine-1-carbonyl)phenyl]methylidene}-4-[(2,5-dimethylphenyl)methyl]-2H-1,4-benzothiazin-3(4H)-one
Chemical Structure Depiction of
2-{[4-(4-benzylpiperazine-1-carbonyl)phenyl]methylidene}-4-[(2,5-dimethylphenyl)methyl]-2H-1,4-benzothiazin-3(4H)-one
2-{[4-(4-benzylpiperazine-1-carbonyl)phenyl]methylidene}-4-[(2,5-dimethylphenyl)methyl]-2H-1,4-benzothiazin-3(4H)-one
Compound characteristics
| Compound ID: | C700-0833 |
| Compound Name: | 2-{[4-(4-benzylpiperazine-1-carbonyl)phenyl]methylidene}-4-[(2,5-dimethylphenyl)methyl]-2H-1,4-benzothiazin-3(4H)-one |
| Molecular Weight: | 573.76 |
| Molecular Formula: | C36 H35 N3 O2 S |
| Smiles: | Cc1ccc(C)c(CN2C(/C(=C\c3ccc(cc3)C(N3CCN(CC3)Cc3ccccc3)=O)Sc3ccccc23)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 6.9193 |
| logD: | 6.9039 |
| logSw: | -5.5351 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 35.258 |
| InChI Key: | RNRMTLCGRPLUKM-UHFFFAOYSA-N |