N-{3-[cyclohexyl(methyl)amino]propyl}-4-({4-[(2-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzamide
Chemical Structure Depiction of
N-{3-[cyclohexyl(methyl)amino]propyl}-4-({4-[(2-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzamide
N-{3-[cyclohexyl(methyl)amino]propyl}-4-({4-[(2-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzamide
Compound characteristics
| Compound ID: | K788-9305 |
| Compound Name: | N-{3-[cyclohexyl(methyl)amino]propyl}-4-({4-[(2-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzamide |
| Molecular Weight: | 553.77 |
| Molecular Formula: | C34 H39 N3 O2 S |
| Smiles: | Cc1ccccc1CN1C(/C(=C\c2ccc(cc2)C(NCCCN(C)C2CCCCC2)=O)Sc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 6.8101 |
| logD: | 4.2853 |
| logSw: | -5.4611 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.362 |
| InChI Key: | YDGPNNZCVBQBDL-UHFFFAOYSA-N |