N-[2-[(2Z)-2-[(1,3-diphenylpyrazol-4-yl)methylidene]hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide
Formula:C29H23N5O2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[2-[(2Z)-2-[(1,3-diphenylpyrazol-4-yl)methylidene]hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide is a drug-like molecule.
| MolName | N-[2-[(2Z)-2-[(1,3-diphenylpyrazol-4-yl)methylidene]hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide |
| MolecularFormula | C29H23N5O2 |
| Smiles | O=C(CNC(c1cccc2ccccc12)=O)N/N=C\c1cn(-c2ccccc2)nc1-c1ccccc1 |
| InChI | InChI=1S/C29H23N5O2/c35-27(19-30-29(36)26-17-9-13-21-10-7-8-16-25(21)26)32-31-18-23-20-34(24-14-5-2-6-15-24)33-28(23)22-11-3-1-4-12-22/h1-18,20H,19H2,(H,30,36)(H,32,35) |
| InChIK | QDKBLZCTBVWYEM-UHFFFAOYSA-N |
| TotalMolweight | 473.535 |
| Molweight | 473.535 |
| MonoisotopicMass | 473.185175 |
| CLogP | 4.3987 |
| CLogS | -6.607 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 372.04 |
| Relative PSA | 0.2106 |
| PolarSurfaceArea | 88.38 |
| Druglikeness | 6.7256 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.52778 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 27 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - N-[2-[(2Z)-2-[(1,3-diphenylpyrazol-4-yl)methylidene]hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide | 2 - N-[2-[(2Z)-2-[(1,3-diphenylpyrazol-4-yl)methylidene]hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide
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