2-benzylidene-N-[3-(4-cyclohexylpiperazin-1-yl)propyl]-4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
Chemical Structure Depiction of
2-benzylidene-N-[3-(4-cyclohexylpiperazin-1-yl)propyl]-4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
2-benzylidene-N-[3-(4-cyclohexylpiperazin-1-yl)propyl]-4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
Compound characteristics
Compound ID: | K788-9738 |
Compound Name: | 2-benzylidene-N-[3-(4-cyclohexylpiperazin-1-yl)propyl]-4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide |
Molecular Weight: | 608.85 |
Molecular Formula: | C37 H44 N4 O2 S |
Smiles: | Cc1cccc(CN2C(/C(=C/c3ccccc3)Sc3ccc(cc23)C(NCCCN2CCN(CC2)C2CCCCC2)=O)=O)c1 |
Stereo: | ACHIRAL |
logP: | 6.8381 |
logD: | 5.9277 |
logSw: | -5.3574 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 46.4 |
InChI Key: | BJUJMLYEWZEWKF-UHFFFAOYSA-N |