4-({4-[(4-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)-N-{3-[4-(3-chlorophenyl)piperazin-1-yl]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-[4-(3-chlorophenyl)piperazin-1-yl]propyl}benzamide
4-({4-[(4-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)-N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}benzamide
Compound characteristics
| Compound ID: | K788-6778 |
| Compound Name: | 4-({4-[(4-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)-N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}benzamide |
| Molecular Weight: | 641.6 |
| Molecular Formula: | C36 H34 Cl2 N4 O3 |
| Smiles: | C(CNC(c1ccc(/C=C2/C(N(Cc3ccc(cc3)[Cl])c3ccccc3O2)=O)cc1)=O)CN1CCN(CC1)c1cccc(c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 6.6159 |
| logD: | 6.072 |
| logSw: | -6.5866 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.53 |
| InChI Key: | ZVDYAAKBZXORKX-UHFFFAOYSA-N |