4-({4-[(2,5-dimethylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)-N-{2-[ethyl(phenyl)amino]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-[ethyl(phenyl)amino]ethyl}benzamide
4-({4-[(2,5-dimethylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)-N-{2-[ethyl(phenyl)amino]ethyl}benzamide
Compound characteristics
| Compound ID: | C700-0117 |
| Compound Name: | 4-({4-[(2,5-dimethylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)-N-{2-[ethyl(phenyl)amino]ethyl}benzamide |
| Molecular Weight: | 561.75 |
| Molecular Formula: | C35 H35 N3 O2 S |
| Smiles: | CCN(CCNC(c1ccc(/C=C2/C(N(Cc3cc(C)ccc3C)c3ccccc3S2)=O)cc1)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 7.5845 |
| logD: | 7.5838 |
| logSw: | -5.5644 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.314 |
| InChI Key: | QUZZWULHVCPFAJ-UHFFFAOYSA-N |