2-naphthalen-2-yloxy-N-[(Z)-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]methylideneamino]acetamide
Formula:C35H28N4O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-naphthalen-2-yloxy-N-[(Z)-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-naphthalen-2-yloxy-N-[(Z)-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]methylideneamino]acetamide |
| MolecularFormula | C35H28N4O3 |
| Smiles | O=C(COc1cc2ccccc2cc1)N/N=C\c1cn(-c2ccccc2)nc1-c(cc1)ccc1OCc1ccccc1 |
| InChI | InChI=1S/C35H28N4O3/c40-34(25-42-33-20-15-27-11-7-8-12-29(27)21-33)37-36-22-30-23-39(31-13-5-2-6-14-31)38-35(30)28-16-18-32(19-17-28)41-24-26-9-3-1-4-10-26/h1-23H,24-25H2,(H,37,40) |
| InChIK | GRNYGNGBTHMVHD-UHFFFAOYSA-N |
| TotalMolweight | 552.632 |
| Molweight | 552.632 |
| MonoisotopicMass | 552.216141 |
| CLogP | 6.238 |
| CLogS | -7.961 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 436.35 |
| Relative PSA | 0.16924 |
| PolarSurfaceArea | 77.74 |
| Druglikeness | 5.7098 |
| 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 | 42 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 10 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 6 |
| Aromatic Atoms | 33 |
| Sp3Atoms | 4 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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