4-({4-[(2,5-dimethylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)-N-{2-[4-(methylsulfanyl)phenyl]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-(methylsulfanyl)phenyl]ethyl}benzamide
4-({4-[(2,5-dimethylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)-N-{2-[4-(methylsulfanyl)phenyl]ethyl}benzamide
Compound characteristics
| Compound ID: | C700-0105 |
| Compound Name: | 4-({4-[(2,5-dimethylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)-N-{2-[4-(methylsulfanyl)phenyl]ethyl}benzamide |
| Molecular Weight: | 564.77 |
| Molecular Formula: | C34 H32 N2 O2 S2 |
| Smiles: | Cc1ccc(C)c(CN2C(/C(=C/c3ccc(cc3)C(NCCc3ccc(cc3)SC)=O)Sc3ccccc23)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 7.8407 |
| logD: | 7.8407 |
| logSw: | -5.5845 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.324 |
| InChI Key: | JIGGORCIVNUQMZ-UHFFFAOYSA-N |