4-bromo-N-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]benzamide
Formula:C23H17N4OBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-bromo-N-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]benzamide is a drug-like molecule.
| MolName | 4-bromo-N-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]benzamide |
| MolecularFormula | C23H17N4OBr |
| Smiles | O=C(c(cc1)ccc1Br)N/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1 |
| InChI | InChI=1S/C23H17BrN4O/c24-20-13-11-18(12-14-20)23(29)26-25-15-19-16-28(21-9-5-2-6-10-21)27-22(19)17-7-3-1-4-8-17/h1-16H,(H,26,29) |
| InChIK | WVRLHKCHFQWOHX-UHFFFAOYSA-N |
| TotalMolweight | 445.319 |
| Molweight | 445.319 |
| MonoisotopicMass | 444.058572 |
| CLogP | 4.8458 |
| CLogS | -6.068 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 313.1 |
| Relative PSA | 0.17199 |
| PolarSurfaceArea | 59.28 |
| Druglikeness | 4.1221 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.55172 |
| 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 | 6 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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