2-benzylidene-N-[3-(4-benzylpiperazin-1-yl)propyl]-4-[(4-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
Chemical Structure Depiction of
2-benzylidene-N-[3-(4-benzylpiperazin-1-yl)propyl]-4-[(4-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
2-benzylidene-N-[3-(4-benzylpiperazin-1-yl)propyl]-4-[(4-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
Compound characteristics
| Compound ID: | K788-8685 |
| Compound Name: | 2-benzylidene-N-[3-(4-benzylpiperazin-1-yl)propyl]-4-[(4-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide |
| Molecular Weight: | 620.79 |
| Molecular Formula: | C37 H37 F N4 O2 S |
| Smiles: | C(CNC(c1ccc2c(c1)N(Cc1ccc(cc1)F)C(/C(=C/c1ccccc1)S2)=O)=O)CN1CCN(CC1)Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.8798 |
| logD: | 5.1089 |
| logSw: | -5.9641 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.847 |
| InChI Key: | DPJLLSSNIAYHQV-UHFFFAOYSA-N |