4-({4-[(4-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)-N-[3-(2-ethylpiperidin-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-(2-ethylpiperidin-1-yl)propyl]benzamide
4-({4-[(4-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)-N-[3-(2-ethylpiperidin-1-yl)propyl]benzamide
Compound characteristics
| Compound ID: | K788-6769 |
| Compound Name: | 4-({4-[(4-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)-N-[3-(2-ethylpiperidin-1-yl)propyl]benzamide |
| Molecular Weight: | 558.12 |
| Molecular Formula: | C33 H36 Cl N3 O3 |
| Smiles: | CCC1CCCCN1CCCNC(c1ccc(/C=C2/C(N(Cc3ccc(cc3)[Cl])c3ccccc3O2)=O)cc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.1239 |
| logD: | 3.2569 |
| logSw: | -6.2649 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.082 |
| InChI Key: | PAJPQNKUPHTWLL-NDEPHWFRSA-N |