N-{3-[benzyl(methyl)amino]propyl}-4-({4-[(2-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)benzamide
Chemical Structure Depiction of
N-{3-[benzyl(methyl)amino]propyl}-4-({4-[(2-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)benzamide
N-{3-[benzyl(methyl)amino]propyl}-4-({4-[(2-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)benzamide
Compound characteristics
| Compound ID: | K788-6844 |
| Compound Name: | N-{3-[benzyl(methyl)amino]propyl}-4-({4-[(2-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)benzamide |
| Molecular Weight: | 549.65 |
| Molecular Formula: | C34 H32 F N3 O3 |
| Smiles: | CN(CCCNC(c1ccc(/C=C2/C(N(Cc3ccccc3F)c3ccccc3O2)=O)cc1)=O)Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.5431 |
| logD: | 4.102 |
| logSw: | -5.4239 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.382 |
| InChI Key: | RMDHXCHLEBJORH-UHFFFAOYSA-N |