N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-3-[4-[(4-chlorophenyl)methoxy]phenyl]-1H-pyrazole-5-carboxamide
Formula:C24H17N4O2Cl2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-3-[4-[(4-chlorophenyl)methoxy]phenyl]-1H-pyrazole-5-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-3-[4-[(4-chlorophenyl)methoxy]phenyl]-1H-pyrazole-5-carboxamide |
| MolecularFormula | C24H17N4O2Cl2F |
| Smiles | O=C(c1cc(-c(cc2)ccc2OCc(cc2)ccc2Cl)n[nH]1)N/N=C\c(c(F)ccc1)c1Cl |
| InChI | InChI=1S/C24H17Cl2FN4O2/c25-17-8-4-15(5-9-17)14-33-18-10-6-16(7-11-18)22-12-23(30-29-22)24(32)31-28-13-19-20(26)2-1-3-21(19)27/h1-13H,14H2,(H,29,30)(H,31,32) |
| InChIK | KJOUBSNUWRCABU-UHFFFAOYSA-N |
| TotalMolweight | 483.329 |
| Molweight | 483.329 |
| MonoisotopicMass | 482.071258 |
| CLogP | 5.5603 |
| CLogS | -7.223 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 355.79 |
| Relative PSA | 0.19947 |
| PolarSurfaceArea | 79.37 |
| Druglikeness | 4.025 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-3-[4-[(4-chlorophenyl)methoxy]phenyl]-1H-pyrazole-5-carboxamide | 2 - N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-3-[4-[(4-chlorophenyl)methoxy]phenyl]-1H-pyrazole-5-carboxamide
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