2-{4-[(4-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl}-N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}propanamide
Chemical Structure Depiction of
2-{4-[(4-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl}-N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}propanamide
2-{4-[(4-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl}-N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}propanamide
Compound characteristics
| Compound ID: | C493-0651 |
| Compound Name: | 2-{4-[(4-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl}-N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}propanamide |
| Molecular Weight: | 564.7 |
| Molecular Formula: | C31 H34 F2 N4 O2 S |
| Smiles: | CC(C1C(N(Cc2ccc(cc2)F)c2ccccc2S1)=O)C(NCCCN1CCN(CC1)c1ccccc1F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.6304 |
| logD: | 4.2992 |
| logSw: | -4.0976 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.538 |
| InChI Key: | PMTLXCAVSGYPCU-UHFFFAOYSA-N |