4-({4-[(2,5-dimethylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)-N-[3-(4-propylpiperazin-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-propylpiperazin-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-propylpiperazin-1-yl)propyl]benzamide
Compound characteristics
| Compound ID: | C700-1391 |
| Compound Name: | 4-({4-[(2,5-dimethylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)-N-[3-(4-propylpiperazin-1-yl)propyl]benzamide |
| Molecular Weight: | 582.81 |
| Molecular Formula: | C35 H42 N4 O2 S |
| Smiles: | CCCN1CCN(CCCNC(c2ccc(\C=C3/C(N(Cc4cc(C)ccc4C)c4ccccc4S3)=O)cc2)=O)CC1 |
| Stereo: | ACHIRAL |
| logP: | 6.1088 |
| logD: | 5.144 |
| logSw: | -5.35 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.097 |
| InChI Key: | RMKGLNJXVRSZBN-UHFFFAOYSA-N |