3-[3-[(2-chlorophenyl)methoxy]phenyl]-N-[(Z)-furan-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide
Formula:C22H17N4O3Cl
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
3-[3-[(2-chlorophenyl)methoxy]phenyl]-N-[(Z)-furan-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide is a drug-like molecule.
| MolName | 3-[3-[(2-chlorophenyl)methoxy]phenyl]-N-[(Z)-furan-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide |
| MolecularFormula | C22H17N4O3Cl |
| Smiles | O=C(c1cc(-c2cccc(OCc(cccc3)c3Cl)c2)n[nH]1)N/N=C\c1ccco1 |
| InChI | InChI=1S/C22H17ClN4O3/c23-19-9-2-1-5-16(19)14-30-17-7-3-6-15(11-17)20-12-21(26-25-20)22(28)27-24-13-18-8-4-10-29-18/h1-13H,14H2,(H,25,26)(H,27,28) |
| InChIK | RNQVQGANBNSJCQ-UHFFFAOYSA-N |
| TotalMolweight | 420.855 |
| Molweight | 420.855 |
| MonoisotopicMass | 420.098918 |
| CLogP | 4.0422 |
| CLogS | -5.855 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 323.71 |
| Relative PSA | 0.26283 |
| PolarSurfaceArea | 92.51 |
| Druglikeness | 5.0766 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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