N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4-[(E)-{4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl]benzamide
Chemical Structure Depiction of
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4-[(E)-{4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl]benzamide
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4-[(E)-{4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl]benzamide
Compound characteristics
| Compound ID: | C700-0751 |
| Compound Name: | N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4-[(E)-{4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl]benzamide |
| Molecular Weight: | 537.7 |
| Molecular Formula: | C34 H39 N3 O3 |
| Smiles: | CC1CC(C)CN(CCCNC(c2ccc(\C=C3/C(N(Cc4cccc(C)c4)c4ccccc4O3)=O)cc2)=O)C1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.3001 |
| logD: | 3.7532 |
| logSw: | -5.432 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.137 |
| InChI Key: | BRSRTTCMLCASBM-UHFFFAOYSA-N |