N-[(Z)-(3-bromophenyl)methylideneamino]-3-(4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide
Formula:C24H19N4O2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3-bromophenyl)methylideneamino]-3-(4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(3-bromophenyl)methylideneamino]-3-(4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide |
| MolecularFormula | C24H19N4O2Br |
| Smiles | O=C(c1cc(-c(cc2)ccc2OCc2ccccc2)n[nH]1)N/N=C\c1cccc(Br)c1 |
| InChI | InChI=1S/C24H19BrN4O2/c25-20-8-4-7-18(13-20)15-26-29-24(30)23-14-22(27-28-23)19-9-11-21(12-10-19)31-16-17-5-2-1-3-6-17/h1-15H,16H2,(H,27,28)(H,29,30) |
| InChIK | IDBHAKLWXREEEK-UHFFFAOYSA-N |
| TotalMolweight | 475.345 |
| Molweight | 475.345 |
| MonoisotopicMass | 474.069137 |
| CLogP | 4.9727 |
| CLogS | -6.271 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 337.23 |
| Relative PSA | 0.21045 |
| PolarSurfaceArea | 79.37 |
| Druglikeness | 3.5364 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.67742 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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