N-{2-[bis(2-methylpropyl)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-[bis(2-methylpropyl)amino]ethyl}-4-({4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)benzamide
N-{2-[bis(2-methylpropyl)amino]ethyl}-4-({4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)benzamide
Compound characteristics
| Compound ID: | C700-0315 |
| Compound Name: | N-{2-[bis(2-methylpropyl)amino]ethyl}-4-({4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)benzamide |
| Molecular Weight: | 539.72 |
| Molecular Formula: | C34 H41 N3 O3 |
| Smiles: | CC(C)CN(CCNC(c1ccc(\C=C2/C(N(Cc3cccc(C)c3)c3ccccc3O2)=O)cc1)=O)CC(C)C |
| Stereo: | ACHIRAL |
| logP: | 7.009 |
| logD: | 5.826 |
| logSw: | -5.5629 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.521 |
| InChI Key: | HBWDFIWPAQQHHE-UHFFFAOYSA-N |