4-({4-[(3-chlorophenyl)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-[(3-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide
4-({4-[(3-chlorophenyl)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: | K788-9617 |
| Compound Name: | 4-({4-[(3-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide |
| Molecular Weight: | 561.15 |
| Molecular Formula: | C31 H33 Cl N4 O2 S |
| Smiles: | CN1CCN(CCCNC(c2ccc(\C=C3/C(N(Cc4cccc(c4)[Cl])c4ccccc4S3)=O)cc2)=O)CC1 |
| Stereo: | ACHIRAL |
| logP: | 4.906 |
| logD: | 3.7557 |
| logSw: | -4.8441 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.784 |
| InChI Key: | NELFVCYPOVDLKP-UHFFFAOYSA-N |