4-({4-[(4-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)-N-{3-[methyl(phenyl)amino]propyl}benzamide
Chemical Structure Depiction of
4-({4-[(4-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)-N-{3-[methyl(phenyl)amino]propyl}benzamide
4-({4-[(4-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)-N-{3-[methyl(phenyl)amino]propyl}benzamide
Compound characteristics
| Compound ID: | K788-6789 |
| Compound Name: | 4-({4-[(4-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)-N-{3-[methyl(phenyl)amino]propyl}benzamide |
| Molecular Weight: | 552.07 |
| Molecular Formula: | C33 H30 Cl N3 O3 |
| Smiles: | CN(CCCNC(c1ccc(/C=C2/C(N(Cc3ccc(cc3)[Cl])c3ccccc3O2)=O)cc1)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.9547 |
| logD: | 5.9497 |
| logSw: | -6.1973 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.492 |
| InChI Key: | NWXFQKIRYAQOQN-UHFFFAOYSA-N |