4-({4-[(2,5-dimethylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)-N-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl}benzamide
Chemical Structure Depiction of
4-({4-[(2,5-dimethylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)-N-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl}benzamide
4-({4-[(2,5-dimethylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)-N-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl}benzamide
Compound characteristics
| Compound ID: | C700-0096 |
| Compound Name: | 4-({4-[(2,5-dimethylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)-N-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl}benzamide |
| Molecular Weight: | 630.85 |
| Molecular Formula: | C39 H42 N4 O2 S |
| Smiles: | Cc1ccc(C)c(CN2C(/C(=C/c3ccc(cc3)C(NCCN3CCN(CC3)c3cccc(C)c3C)=O)Sc3ccccc23)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 8.1142 |
| logD: | 8.0012 |
| logSw: | -5.5842 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.266 |
| InChI Key: | NDVHMJROACRILY-UHFFFAOYSA-N |