N-{2-[(butan-2-yl)(cyclohexyl)amino]ethyl}-4-({4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)benzamide
Chemical Structure Depiction of
N-{2-[(butan-2-yl)(cyclohexyl)amino]ethyl}-4-({4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)benzamide
N-{2-[(butan-2-yl)(cyclohexyl)amino]ethyl}-4-({4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)benzamide
Compound characteristics
| Compound ID: | C700-0316 |
| Compound Name: | N-{2-[(butan-2-yl)(cyclohexyl)amino]ethyl}-4-({4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)benzamide |
| Molecular Weight: | 565.76 |
| Molecular Formula: | C36 H43 N3 O3 |
| Smiles: | CCC(C)N(CCNC(c1ccc(\C=C2/C(N(Cc3cccc(C)c3)c3ccccc3O2)=O)cc1)=O)C1CCCCC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.7327 |
| logD: | 6.2992 |
| logSw: | -5.4886 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.714 |
| InChI Key: | DFDIEPQRYGBSCM-MHZLTWQESA-N |