2-(4-phenylmethoxyphenoxy)-N-[(Z)-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]methylideneamino]acetamide
Formula:C38H32N4O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(4-phenylmethoxyphenoxy)-N-[(Z)-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-(4-phenylmethoxyphenoxy)-N-[(Z)-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]methylideneamino]acetamide |
| MolecularFormula | C38H32N4O4 |
| Smiles | O=C(COc(cc1)ccc1OCc1ccccc1)N/N=C\c1cn(-c2ccccc2)nc1-c(cc1)ccc1OCc1ccccc1 |
| InChI | InChI=1S/C38H32N4O4/c43-37(28-46-36-22-20-35(21-23-36)45-27-30-12-6-2-7-13-30)40-39-24-32-25-42(33-14-8-3-9-15-33)41-38(32)31-16-18-34(19-17-31)44-26-29-10-4-1-5-11-29/h1-25H,26-28H2,(H,40,43) |
| InChIK | NWFQZNPEYALKMC-UHFFFAOYSA-N |
| TotalMolweight | 608.696 |
| Molweight | 608.696 |
| MonoisotopicMass | 608.242356 |
| CLogP | 6.3917 |
| CLogS | -7.696 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 485.27 |
| Relative PSA | 0.17279 |
| PolarSurfaceArea | 86.97 |
| Druglikeness | 5.7098 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 46 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 13 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 6 |
| Aromatic Atoms | 35 |
| Sp3Atoms | 6 |
| Symmetricatoms | 10 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 2-(4-phenylmethoxyphenoxy)-N-[(Z)-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]methylideneamino]acetamide | 2 - 2-(4-phenylmethoxyphenoxy)-N-[(Z)-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]methylideneamino]acetamide
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