2-benzylidene-4-[(4-fluorophenyl)methyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
Chemical Structure Depiction of
2-benzylidene-4-[(4-fluorophenyl)methyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
2-benzylidene-4-[(4-fluorophenyl)methyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
Compound characteristics
| Compound ID: | K788-9620 |
| Compound Name: | 2-benzylidene-4-[(4-fluorophenyl)methyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide |
| Molecular Weight: | 544.69 |
| Molecular Formula: | C31 H33 F N4 O2 S |
| Smiles: | CN1CCN(CCCNC(c2ccc3c(c2)N(Cc2ccc(cc2)F)C(/C(=C\c2ccccc2)S3)=O)=O)CC1 |
| Stereo: | ACHIRAL |
| logP: | 4.3815 |
| logD: | 3.2312 |
| logSw: | -4.0821 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.784 |
| InChI Key: | QCCYBVZQVNMCCK-UHFFFAOYSA-N |