3-[4-[(2-chlorophenyl)methoxy]phenyl]-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
Formula:C31H25N4O3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[4-[(2-chlorophenyl)methoxy]phenyl]-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide is not a drug-like molecule.
| MolName | 3-[4-[(2-chlorophenyl)methoxy]phenyl]-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide |
| MolecularFormula | C31H25N4O3Cl |
| Smiles | O=C(c1cc(-c(cc2)ccc2OCc(cccc2)c2Cl)n[nH]1)N/N=C\c(cc1)ccc1OCc1ccccc1 |
| InChI | InChI=1S/C31H25ClN4O3/c32-28-9-5-4-8-25(28)21-39-27-16-12-24(13-17-27)29-18-30(35-34-29)31(37)36-33-19-22-10-14-26(15-11-22)38-20-23-6-2-1-3-7-23/h1-19H,20-21H2,(H,34,35)(H,36,37) |
| InChIK | ASSCCUDTPOQNDJ-UHFFFAOYSA-N |
| TotalMolweight | 537.018 |
| Molweight | 537.018 |
| MonoisotopicMass | 536.161518 |
| CLogP | 6.2016 |
| CLogS | -7.514 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 417.54 |
| Relative PSA | 0.19392 |
| PolarSurfaceArea | 88.6 |
| Druglikeness | 5.365 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 39 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 10 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 29 |
| Sp3Atoms | 4 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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