N-[(Z)-[1-[(4-bromophenyl)methyl]-3-phenylpyrazol-4-yl]methylideneamino]-2-hydroxybenzamide
Formula:C24H19N4O2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[1-[(4-bromophenyl)methyl]-3-phenylpyrazol-4-yl]methylideneamino]-2-hydroxybenzamide is a drug-like molecule.
| MolName | N-[(Z)-[1-[(4-bromophenyl)methyl]-3-phenylpyrazol-4-yl]methylideneamino]-2-hydroxybenzamide |
| MolecularFormula | C24H19N4O2Br |
| Smiles | Oc(cccc1)c1C(N/N=C\c1cn(Cc(cc2)ccc2Br)nc1-c1ccccc1)=O |
| InChI | InChI=1S/C24H19BrN4O2/c25-20-12-10-17(11-13-20)15-29-16-19(23(28-29)18-6-2-1-3-7-18)14-26-27-24(31)21-8-4-5-9-22(21)30/h1-14,16,30H,15H2,(H,27,31) |
| InChIK | NVPLYNCLRLYISM-UHFFFAOYSA-N |
| TotalMolweight | 475.345 |
| Molweight | 475.345 |
| MonoisotopicMass | 474.069137 |
| CLogP | 4.7511 |
| CLogS | -5.594 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 333.21 |
| Relative PSA | 0.20092 |
| PolarSurfaceArea | 79.51 |
| Druglikeness | 4.6255 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.54839 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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