N-{3-[benzyl(propan-2-yl)amino]propyl}-4-({4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)benzamide
Chemical Structure Depiction of
N-{3-[benzyl(propan-2-yl)amino]propyl}-4-({4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)benzamide
N-{3-[benzyl(propan-2-yl)amino]propyl}-4-({4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)benzamide
Compound characteristics
Compound ID: | C700-0305 |
Compound Name: | N-{3-[benzyl(propan-2-yl)amino]propyl}-4-({4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)benzamide |
Molecular Weight: | 573.74 |
Molecular Formula: | C37 H39 N3 O3 |
Smiles: | CC(C)N(CCCNC(c1ccc(\C=C2/C(N(Cc3cccc(C)c3)c3ccccc3O2)=O)cc1)=O)Cc1ccccc1 |
Stereo: | ACHIRAL |
logP: | 6.9257 |
logD: | 4.9794 |
logSw: | -5.601 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 50.885 |
InChI Key: | DXLQYOWZKHRQTH-UHFFFAOYSA-N |