6-(4-benzylpiperazine-1-carbonyl)-4-methyl-2-[(3-methylphenyl)methylidene]-2H-1,4-benzothiazin-3(4H)-one
Chemical Structure Depiction of
6-(4-benzylpiperazine-1-carbonyl)-4-methyl-2-[(3-methylphenyl)methylidene]-2H-1,4-benzothiazin-3(4H)-one
6-(4-benzylpiperazine-1-carbonyl)-4-methyl-2-[(3-methylphenyl)methylidene]-2H-1,4-benzothiazin-3(4H)-one
Compound characteristics
| Compound ID: | C310-2096 |
| Compound Name: | 6-(4-benzylpiperazine-1-carbonyl)-4-methyl-2-[(3-methylphenyl)methylidene]-2H-1,4-benzothiazin-3(4H)-one |
| Molecular Weight: | 483.63 |
| Molecular Formula: | C29 H29 N3 O2 S |
| Smiles: | Cc1cccc(/C=C2/C(N(C)c3cc(ccc3S2)C(N2CCN(CC2)Cc2ccccc2)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.481 |
| logD: | 4.4656 |
| logSw: | -4.3162 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 35.296 |
| InChI Key: | IYZNTTBCWJTXNQ-UHFFFAOYSA-N |