N-{3-[benzyl(butyl)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(butyl)amino]propyl}-4-({4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)benzamide
N-{3-[benzyl(butyl)amino]propyl}-4-({4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)benzamide
Compound characteristics
| Compound ID: | C700-0325 |
| Compound Name: | N-{3-[benzyl(butyl)amino]propyl}-4-({4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)benzamide |
| Molecular Weight: | 587.76 |
| Molecular Formula: | C38 H41 N3 O3 |
| Smiles: | CCCCN(CCCNC(c1ccc(\C=C2/C(N(Cc3cccc(C)c3)c3ccccc3O2)=O)cc1)=O)Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 7.4711 |
| logD: | 5.9086 |
| logSw: | -5.5671 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.228 |
| InChI Key: | NHYKCGISGBGUNF-UHFFFAOYSA-N |