2-benzylidene-4-[(3-methylphenyl)methyl]-6-[4-(pyridin-2-yl)piperazine-1-carbonyl]-2H-1,4-benzothiazin-3(4H)-one
Chemical Structure Depiction of
2-benzylidene-4-[(3-methylphenyl)methyl]-6-[4-(pyridin-2-yl)piperazine-1-carbonyl]-2H-1,4-benzothiazin-3(4H)-one
2-benzylidene-4-[(3-methylphenyl)methyl]-6-[4-(pyridin-2-yl)piperazine-1-carbonyl]-2H-1,4-benzothiazin-3(4H)-one
Compound characteristics
| Compound ID: | C700-0287 |
| Compound Name: | 2-benzylidene-4-[(3-methylphenyl)methyl]-6-[4-(pyridin-2-yl)piperazine-1-carbonyl]-2H-1,4-benzothiazin-3(4H)-one |
| Molecular Weight: | 546.69 |
| Molecular Formula: | C33 H30 N4 O2 S |
| Smiles: | Cc1cccc(CN2C(/C(=C/c3ccccc3)Sc3ccc(cc23)C(N2CCN(CC2)c2ccccn2)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 6.5242 |
| logD: | 6.5154 |
| logSw: | -5.6081 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 43.489 |
| InChI Key: | LBVNQAPFAYXLPR-UHFFFAOYSA-N |