N-[(Z)-[1-(4-bromophenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]benzamide
Formula:C30H22N3OBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[1-(4-bromophenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]benzamide is not a drug-like molecule.
| MolName | N-[(Z)-[1-(4-bromophenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]benzamide |
| MolecularFormula | C30H22N3OBr |
| Smiles | O=C(c1ccccc1)N/N=C\c(cc1-c2ccccc2)c(-c2ccccc2)n1-c(cc1)ccc1Br |
| InChI | InChI=1S/C30H22BrN3O/c31-26-16-18-27(19-17-26)34-28(22-10-4-1-5-11-22)20-25(29(34)23-12-6-2-7-13-23)21-32-33-30(35)24-14-8-3-9-15-24/h1-21H,(H,33,35) |
| InChIK | KOZMDZPFGQVUDL-UHFFFAOYSA-N |
| TotalMolweight | 520.429 |
| Molweight | 520.429 |
| MonoisotopicMass | 519.094623 |
| CLogP | 7.6121 |
| CLogS | -10.424 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 374.1 |
| Relative PSA | 0.11462 |
| PolarSurfaceArea | 46.39 |
| 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 | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 29 |
| Symmetricatoms | 8 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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