5-bromo-N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]furan-2-carboxamide
Formula:C21H15N4O2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-bromo-N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]furan-2-carboxamide is a drug-like molecule.
| MolName | 5-bromo-N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]furan-2-carboxamide |
| MolecularFormula | C21H15N4O2Br |
| Smiles | O=C(c(o1)ccc1Br)N/N=C\c1cn(-c2ccccc2)nc1-c1ccccc1 |
| InChI | InChI=1S/C21H15BrN4O2/c22-19-12-11-18(28-19)21(27)24-23-13-16-14-26(17-9-5-2-6-10-17)25-20(16)15-7-3-1-4-8-15/h1-14H,(H,24,27) |
| InChIK | VXGXANYCAKQJKR-UHFFFAOYSA-N |
| TotalMolweight | 435.28 |
| Molweight | 435.28 |
| MonoisotopicMass | 434.037837 |
| CLogP | 4.1319 |
| CLogS | -5.513 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 302.79 |
| Relative PSA | 0.22445 |
| PolarSurfaceArea | 72.42 |
| Druglikeness | 3.5717 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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