3-naphthalen-2-yl-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
Formula:C28H22N4O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-naphthalen-2-yl-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide is not a drug-like molecule.
| MolName | 3-naphthalen-2-yl-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide |
| MolecularFormula | C28H22N4O2 |
| Smiles | O=C(c1cc(-c2cc3ccccc3cc2)n[nH]1)N/N=C\c(cccc1)c1OCc1ccccc1 |
| InChI | InChI=1S/C28H22N4O2/c33-28(26-17-25(30-31-26)23-15-14-21-10-4-5-11-22(21)16-23)32-29-18-24-12-6-7-13-27(24)34-19-20-8-2-1-3-9-20/h1-18H,19H2,(H,30,31)(H,32,33) |
| InChIK | SNDWGFKKKCDZAH-UHFFFAOYSA-N |
| TotalMolweight | 446.509 |
| Molweight | 446.509 |
| MonoisotopicMass | 446.174276 |
| CLogP | 5.4419 |
| CLogS | -7.043 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 353.2 |
| Relative PSA | 0.20093 |
| PolarSurfaceArea | 79.37 |
| Druglikeness | 5.3264 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61765 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 27 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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