2-benzylidene-4-[(3-methylphenyl)methyl]-6-(4-methylpiperazine-1-carbonyl)-2H-1,4-benzothiazin-3(4H)-one
Chemical Structure Depiction of
2-benzylidene-4-[(3-methylphenyl)methyl]-6-(4-methylpiperazine-1-carbonyl)-2H-1,4-benzothiazin-3(4H)-one
2-benzylidene-4-[(3-methylphenyl)methyl]-6-(4-methylpiperazine-1-carbonyl)-2H-1,4-benzothiazin-3(4H)-one
Compound characteristics
| Compound ID: | C700-0978 |
| Compound Name: | 2-benzylidene-4-[(3-methylphenyl)methyl]-6-(4-methylpiperazine-1-carbonyl)-2H-1,4-benzothiazin-3(4H)-one |
| Molecular Weight: | 483.63 |
| Molecular Formula: | C29 H29 N3 O2 S |
| Smiles: | Cc1cccc(CN2C(/C(=C\c3ccccc3)Sc3ccc(cc23)C(N2CCN(C)CC2)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.0394 |
| logD: | 4.9087 |
| logSw: | -4.6326 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 35.194 |
| InChI Key: | MHNLQTBVVGLBBR-UHFFFAOYSA-N |