N-{3-[butyl(methyl)amino]propyl}-4-({4-[(4-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)benzamide
Chemical Structure Depiction of
N-{3-[butyl(methyl)amino]propyl}-4-({4-[(4-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)benzamide
N-{3-[butyl(methyl)amino]propyl}-4-({4-[(4-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)benzamide
Compound characteristics
| Compound ID: | K788-5726 |
| Compound Name: | N-{3-[butyl(methyl)amino]propyl}-4-({4-[(4-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)benzamide |
| Molecular Weight: | 511.66 |
| Molecular Formula: | C32 H37 N3 O3 |
| Smiles: | CCCCN(C)CCCNC(c1ccc(\C=C2/C(N(Cc3ccc(C)cc3)c3ccccc3O2)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6292 |
| logD: | 3.0901 |
| logSw: | -5.3459 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.632 |
| InChI Key: | DXMHWXSWCTUAAS-UHFFFAOYSA-N |