N-[(Z)-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methylideneamino]-2-[(4-fluorophenyl)methoxy]benzamide
Formula:C32H25N4O4F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methylideneamino]-2-[(4-fluorophenyl)methoxy]benzamide is not a drug-like molecule.
| MolName | N-[(Z)-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methylideneamino]-2-[(4-fluorophenyl)methoxy]benzamide |
| MolecularFormula | C32H25N4O4F |
| Smiles | O=C(c(cccc1)c1OCc(cc1)ccc1F)N/N=C\c1cn(-c2ccccc2)nc1-c(cc1)cc2c1OCCO2 |
| InChI | InChI=1S/C32H25FN4O4/c33-25-13-10-22(11-14-25)21-41-28-9-5-4-8-27(28)32(38)35-34-19-24-20-37(26-6-2-1-3-7-26)36-31(24)23-12-15-29-30(18-23)40-17-16-39-29/h1-15,18-20H,16-17,21H2,(H,35,38) |
| InChIK | AUOTXUOPEBYSPJ-UHFFFAOYSA-N |
| TotalMolweight | 548.573 |
| Molweight | 548.573 |
| MonoisotopicMass | 548.185984 |
| CLogP | 5.5483 |
| CLogS | -7.071 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 418.36 |
| Relative PSA | 0.20043 |
| PolarSurfaceArea | 86.97 |
| Druglikeness | -2.6675 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.5122 |
| Fragments | 1 |
| Non HAtoms | 41 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 29 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - N-[(Z)-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methylideneamino]-2-[(4-fluorophenyl)methoxy]benzamide | 2 - N-[(Z)-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methylideneamino]-2-[(4-fluorophenyl)methoxy]benzamide
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