N-[(Z)-(3-bromo-4-phenylmethoxyphenyl)methylideneamino]-2-pyrrol-1-ylbenzamide
Formula:C25H20N3O2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3-bromo-4-phenylmethoxyphenyl)methylideneamino]-2-pyrrol-1-ylbenzamide is not a drug-like molecule.
| MolName | N-[(Z)-(3-bromo-4-phenylmethoxyphenyl)methylideneamino]-2-pyrrol-1-ylbenzamide |
| MolecularFormula | C25H20N3O2Br |
| Smiles | O=C(c(cccc1)c1-n1cccc1)N/N=C\c(cc1)cc(Br)c1OCc1ccccc1 |
| InChI | InChI=1S/C25H20BrN3O2/c26-22-16-20(12-13-24(22)31-18-19-8-2-1-3-9-19)17-27-28-25(30)21-10-4-5-11-23(21)29-14-6-7-15-29/h1-17H,18H2,(H,28,30) |
| InChIK | LXUFZWFOLOEJBI-UHFFFAOYSA-N |
| TotalMolweight | 474.357 |
| Molweight | 474.357 |
| MonoisotopicMass | 473.073888 |
| CLogP | 5.4598 |
| CLogS | -8.209 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 338.1 |
| Relative PSA | 0.1564 |
| PolarSurfaceArea | 55.62 |
| Druglikeness | 2.9362 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6129 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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