4-({4-[(4-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide
Chemical Structure Depiction of
4-({4-[(4-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide
4-({4-[(4-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide
Compound characteristics
| Compound ID: | C308-0645 |
| Compound Name: | 4-({4-[(4-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide |
| Molecular Weight: | 544.69 |
| Molecular Formula: | C31 H33 F N4 O2 S |
| Smiles: | CN1CCN(CCCNC(c2ccc(/C=C3/C(N(Cc4ccc(cc4)F)c4ccccc4S3)=O)cc2)=O)CC1 |
| Stereo: | ACHIRAL |
| logP: | 4.2797 |
| logD: | 3.1293 |
| logSw: | -4.049 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.784 |
| InChI Key: | MARWGYIDDCFJRT-UHFFFAOYSA-N |