N-{2-[(butan-2-yl)(cyclohexyl)amino]ethyl}-4-({4-[(2,5-dimethylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzamide
Chemical Structure Depiction of
N-{2-[(butan-2-yl)(cyclohexyl)amino]ethyl}-4-({4-[(2,5-dimethylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzamide
N-{2-[(butan-2-yl)(cyclohexyl)amino]ethyl}-4-({4-[(2,5-dimethylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzamide
Compound characteristics
| Compound ID: | C700-0112 |
| Compound Name: | N-{2-[(butan-2-yl)(cyclohexyl)amino]ethyl}-4-({4-[(2,5-dimethylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzamide |
| Molecular Weight: | 595.85 |
| Molecular Formula: | C37 H45 N3 O2 S |
| Smiles: | CCC(C)N(CCNC(c1ccc(/C=C2/C(N(Cc3cc(C)ccc3C)c3ccccc3S2)=O)cc1)=O)C1CCCCC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 8.7624 |
| logD: | 7.3289 |
| logSw: | -5.407 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.751 |
| InChI Key: | WWZYXVHFYPUPEF-NDEPHWFRSA-N |