N-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]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-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl}-4-({4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)benzamide
N-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl}-4-({4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)benzamide
Compound characteristics
| Compound ID: | C700-0431 |
| Compound Name: | N-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl}-4-({4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)benzamide |
| Molecular Weight: | 600.76 |
| Molecular Formula: | C38 H40 N4 O3 |
| Smiles: | Cc1cccc(CN2C(/C(=C\c3ccc(cc3)C(NCCN3CCN(CC3)c3cccc(C)c3C)=O)Oc3ccccc23)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 7.0845 |
| logD: | 6.9714 |
| logSw: | -5.5923 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.229 |
| InChI Key: | VYBHKMVJJDFVSP-UHFFFAOYSA-N |