2-benzylidene-N-[3-(4-ethylpiperazin-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-ethylpiperazin-1-yl)propyl]-4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
2-benzylidene-N-[3-(4-ethylpiperazin-1-yl)propyl]-4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
Compound characteristics
| Compound ID: | K788-9797 |
| Compound Name: | 2-benzylidene-N-[3-(4-ethylpiperazin-1-yl)propyl]-4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide |
| Molecular Weight: | 554.76 |
| Molecular Formula: | C33 H38 N4 O2 S |
| Smiles: | CCN1CCN(CCCNC(c2ccc3c(c2)N(Cc2cccc(C)c2)C(/C(=C/c2ccccc2)S3)=O)=O)CC1 |
| Stereo: | ACHIRAL |
| logP: | 5.3438 |
| logD: | 4.3956 |
| logSw: | -5.1395 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.844 |
| InChI Key: | MYLCLFMPNCXGKA-UHFFFAOYSA-N |