4-({4-[(4-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)-N-{3-[4-(4-fluorophenyl)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-(4-fluorophenyl)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-(4-fluorophenyl)piperazin-1-yl]propyl}benzamide
Compound characteristics
| Compound ID: | K788-6801 |
| Compound Name: | 4-({4-[(4-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)-N-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}benzamide |
| Molecular Weight: | 625.14 |
| Molecular Formula: | C36 H34 Cl F N4 O3 |
| Smiles: | C(CNC(c1ccc(/C=C2/C(N(Cc3ccc(cc3)[Cl])c3ccccc3O2)=O)cc1)=O)CN1CCN(CC1)c1ccc(cc1)F |
| Stereo: | ACHIRAL |
| logP: | 6.1829 |
| logD: | 5.639 |
| logSw: | -6.3985 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.53 |
| InChI Key: | YIGWGOIKVPCXAU-UHFFFAOYSA-N |