4-(2,5-diphenylpyrrol-1-yl)-N-[(Z)-[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]benzamide
Formula:C37H28N3O2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-(2,5-diphenylpyrrol-1-yl)-N-[(Z)-[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]benzamide is not a drug-like molecule.
| MolName | 4-(2,5-diphenylpyrrol-1-yl)-N-[(Z)-[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]benzamide |
| MolecularFormula | C37H28N3O2F |
| Smiles | O=C(c(cc1)ccc1-n1c(-c2ccccc2)ccc1-c1ccccc1)N/N=C\c(cc1)ccc1OCc(cc1)ccc1F |
| InChI | InChI=1S/C37H28FN3O2/c38-32-17-11-28(12-18-32)26-43-34-21-13-27(14-22-34)25-39-40-37(42)31-15-19-33(20-16-31)41-35(29-7-3-1-4-8-29)23-24-36(41)30-9-5-2-6-10-30/h1-25H,26H2,(H,40,42) |
| InChIK | BZIJJAJHYOESKA-UHFFFAOYSA-N |
| TotalMolweight | 565.646 |
| Molweight | 565.646 |
| MonoisotopicMass | 565.216555 |
| CLogP | 8.3358 |
| CLogS | -11.245 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 445.34 |
| Relative PSA | 0.11874 |
| PolarSurfaceArea | 55.62 |
| Druglikeness | 3.7947 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.5814 |
| Fragments | 1 |
| Non HAtoms | 43 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 9 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 6 |
| Aromatic Atoms | 35 |
| Sp3Atoms | 2 |
| Symmetricatoms | 16 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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