N-[(Z)-(3-bromophenyl)methylideneamino]-3-(4-phenylphenyl)-1H-pyrazole-5-carboxamide
Formula:C23H17N4OBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3-bromophenyl)methylideneamino]-3-(4-phenylphenyl)-1H-pyrazole-5-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-(3-bromophenyl)methylideneamino]-3-(4-phenylphenyl)-1H-pyrazole-5-carboxamide |
| MolecularFormula | C23H17N4OBr |
| Smiles | O=C(c1cc(-c(cc2)ccc2-c2ccccc2)n[nH]1)N/N=C\c1cccc(Br)c1 |
| InChI | InChI=1S/C23H17BrN4O/c24-20-8-4-5-16(13-20)15-25-28-23(29)22-14-21(26-27-22)19-11-9-18(10-12-19)17-6-2-1-3-7-17/h1-15H,(H,26,27)(H,28,29) |
| InChIK | PQIWRQSAZJPVMS-UHFFFAOYSA-N |
| TotalMolweight | 445.319 |
| Molweight | 445.319 |
| MonoisotopicMass | 444.058572 |
| CLogP | 5.2838 |
| CLogS | -7.016 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 313.47 |
| Relative PSA | 0.1945 |
| PolarSurfaceArea | 70.14 |
| Druglikeness | 3.8421 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65517 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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