N-[(Z)-[1-(4-bromophenyl)pyrrol-2-yl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide
Formula:C25H20N3O2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[1-(4-bromophenyl)pyrrol-2-yl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide is a drug-like molecule.
| MolName | N-[(Z)-[1-(4-bromophenyl)pyrrol-2-yl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide |
| MolecularFormula | C25H20N3O2Br |
| Smiles | OC(C(N/N=C\c1cccn1-c(cc1)ccc1Br)=O)(c1ccccc1)c1ccccc1 |
| InChI | InChI=1S/C25H20BrN3O2/c26-21-13-15-22(16-14-21)29-17-7-12-23(29)18-27-28-24(30)25(31,19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-18,31H,(H,28,30) |
| InChIK | CYLSBPUQGVWAIF-UHFFFAOYSA-N |
| TotalMolweight | 474.357 |
| Molweight | 474.357 |
| MonoisotopicMass | 473.073888 |
| CLogP | 4.446 |
| CLogS | -7.598 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 331.1 |
| Relative PSA | 0.16907 |
| PolarSurfaceArea | 66.62 |
| Druglikeness | 4.6436 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51613 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 2 |
| Symmetricatoms | 10 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-[1-(4-bromophenyl)pyrrol-2-yl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide | 2 - N-[(Z)-[1-(4-bromophenyl)pyrrol-2-yl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide
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