4-({4-[(2,5-dimethylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)-N-[3-(4-ethylpiperazin-1-yl)propyl]benzamide
Chemical Structure Depiction of
4-({4-[(2,5-dimethylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)-N-[3-(4-ethylpiperazin-1-yl)propyl]benzamide
4-({4-[(2,5-dimethylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)-N-[3-(4-ethylpiperazin-1-yl)propyl]benzamide
Compound characteristics
| Compound ID: | C700-0973 |
| Compound Name: | 4-({4-[(2,5-dimethylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)-N-[3-(4-ethylpiperazin-1-yl)propyl]benzamide |
| Molecular Weight: | 568.78 |
| Molecular Formula: | C34 H40 N4 O2 S |
| Smiles: | CCN1CCN(CCCNC(c2ccc(\C=C3/C(N(Cc4cc(C)ccc4C)c4ccccc4S3)=O)cc2)=O)CC1 |
| Stereo: | ACHIRAL |
| logP: | 5.6414 |
| logD: | 4.6932 |
| logSw: | -5.2905 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.844 |
| InChI Key: | GROGGJMCBGIGCN-UHFFFAOYSA-N |