N-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]-2-[2-(2-phenylpyrazol-3-yl)phenoxy]acetamide
Formula:C27H20N5O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]-2-[2-(2-phenylpyrazol-3-yl)phenoxy]acetamide is a drug-like molecule.
| MolName | N-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]-2-[2-(2-phenylpyrazol-3-yl)phenoxy]acetamide |
| MolecularFormula | C27H20N5O2Cl |
| Smiles | O=C(COc(cccc1)c1-c1ccnn1-c1ccccc1)N/N=C\c1cc2ccccc2nc1Cl |
| InChI | InChI=1S/C27H20ClN5O2/c28-27-20(16-19-8-4-6-12-23(19)31-27)17-29-32-26(34)18-35-25-13-7-5-11-22(25)24-14-15-30-33(24)21-9-2-1-3-10-21/h1-17H,18H2,(H,32,34) |
| InChIK | ARVRGXKOVJKCNX-UHFFFAOYSA-N |
| TotalMolweight | 481.942 |
| Molweight | 481.942 |
| MonoisotopicMass | 481.130552 |
| CLogP | 4.7149 |
| CLogS | -6.219 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 367.01 |
| Relative PSA | 0.20386 |
| PolarSurfaceArea | 81.4 |
| Druglikeness | 5.6712 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 27 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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