2-[(3-chlorophenyl)methylidene]-4-methyl-6-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-2H-1,4-benzothiazin-3(4H)-one
Chemical Structure Depiction of
2-[(3-chlorophenyl)methylidene]-4-methyl-6-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-2H-1,4-benzothiazin-3(4H)-one
2-[(3-chlorophenyl)methylidene]-4-methyl-6-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-2H-1,4-benzothiazin-3(4H)-one
Compound characteristics
| Compound ID: | C310-1562 |
| Compound Name: | 2-[(3-chlorophenyl)methylidene]-4-methyl-6-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-2H-1,4-benzothiazin-3(4H)-one |
| Molecular Weight: | 518.08 |
| Molecular Formula: | C29 H28 Cl N3 O2 S |
| Smiles: | CC1CN(CCN1c1cccc(C)c1)C(c1ccc2c(c1)N(C)C(/C(=C/c1cccc(c1)[Cl])S2)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7447 |
| logD: | 5.7447 |
| logSw: | -5.9358 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 34.234 |
| InChI Key: | TZCOOWDFKYLWRW-FQEVSTJZSA-N |