4-({4-[(4-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)-N-[3-(4-methylpiperidin-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-methylpiperidin-1-yl)propyl]benzamide
4-({4-[(4-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
Compound characteristics
| Compound ID: | K788-6753 |
| Compound Name: | 4-({4-[(4-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide |
| Molecular Weight: | 544.09 |
| Molecular Formula: | C32 H34 Cl N3 O3 |
| Smiles: | CC1CCN(CCCNC(c2ccc(/C=C3/C(N(Cc4ccc(cc4)[Cl])c4ccccc4O3)=O)cc2)=O)CC1 |
| Stereo: | ACHIRAL |
| logP: | 5.7993 |
| logD: | 3.339 |
| logSw: | -6.1114 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.27 |
| InChI Key: | VMJRCRQWCFIQTO-UHFFFAOYSA-N |