N-{3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl}-4-({4-[(2,5-dimethylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzamide
Chemical Structure Depiction of
N-{3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl}-4-({4-[(2,5-dimethylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzamide
N-{3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl}-4-({4-[(2,5-dimethylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzamide
Compound characteristics
| Compound ID: | C700-0075 |
| Compound Name: | N-{3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl}-4-({4-[(2,5-dimethylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzamide |
| Molecular Weight: | 665.3 |
| Molecular Formula: | C39 H41 Cl N4 O2 S |
| Smiles: | Cc1ccc(C)c(CN2C(/C(=C/c3ccc(cc3)C(NCCCN3CCN(CC3)c3cc(ccc3C)[Cl])=O)Sc3ccccc23)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 8.3965 |
| logD: | 7.2499 |
| logSw: | -6.3013 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.266 |
| InChI Key: | VBLVYOVSOYKURA-UHFFFAOYSA-N |