N-[(Z)-[1-(4-bromophenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]pyridine-3-carboxamide
Formula:C29H21N4OBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[1-(4-bromophenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]pyridine-3-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-[1-(4-bromophenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]pyridine-3-carboxamide |
| MolecularFormula | C29H21N4OBr |
| Smiles | O=C(c1cnccc1)N/N=C\c(cc1-c2ccccc2)c(-c2ccccc2)n1-c(cc1)ccc1Br |
| InChI | InChI=1S/C29H21BrN4O/c30-25-13-15-26(16-14-25)34-27(21-8-3-1-4-9-21)18-24(28(34)22-10-5-2-6-11-22)20-32-33-29(35)23-12-7-17-31-19-23/h1-20H,(H,33,35) |
| InChIK | IYRRVBLHZOEDFQ-UHFFFAOYSA-N |
| TotalMolweight | 521.417 |
| Molweight | 521.417 |
| MonoisotopicMass | 520.089872 |
| CLogP | 6.6112 |
| CLogS | -9.629 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 372.86 |
| Relative PSA | 0.14442 |
| PolarSurfaceArea | 59.28 |
| Druglikeness | 3.7934 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.45714 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 29 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - N-[(Z)-[1-(4-bromophenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]pyridine-3-carboxamide | 2 - N-[(Z)-[1-(4-bromophenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]pyridine-3-carboxamide
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