4-(2,5-diphenylpyrrol-1-yl)-N-[(Z)-pyridin-4-ylmethylideneamino]benzamide
Formula:C29H22N4O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-(2,5-diphenylpyrrol-1-yl)-N-[(Z)-pyridin-4-ylmethylideneamino]benzamide is not a drug-like molecule.
| MolName | 4-(2,5-diphenylpyrrol-1-yl)-N-[(Z)-pyridin-4-ylmethylideneamino]benzamide |
| MolecularFormula | C29H22N4O |
| Smiles | O=C(c(cc1)ccc1-n1c(-c2ccccc2)ccc1-c1ccccc1)N/N=C\c1ccncc1 |
| InChI | InChI=1S/C29H22N4O/c34-29(32-31-21-22-17-19-30-20-18-22)25-11-13-26(14-12-25)33-27(23-7-3-1-4-8-23)15-16-28(33)24-9-5-2-6-10-24/h1-21H,(H,32,34) |
| InChIK | NVCIFPNCCJSQSK-UHFFFAOYSA-N |
| TotalMolweight | 442.521 |
| Molweight | 442.521 |
| MonoisotopicMass | 442.179361 |
| CLogP | 5.886 |
| CLogS | -8.795 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 354.23 |
| Relative PSA | 0.15202 |
| PolarSurfaceArea | 59.28 |
| Druglikeness | 5.4664 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.52941 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 29 |
| Symmetricatoms | 14 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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