(8E)-2-amino-6-benzyl-4-(3-bromophenyl)-8-[(3-bromophenyl)methylidene]-5,7-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
Formula:C29H23N3OBr2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(8E)-2-amino-6-benzyl-4-(3-bromophenyl)-8-[(3-bromophenyl)methylidene]-5,7-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile is not a drug-like molecule.
| MolName | (8E)-2-amino-6-benzyl-4-(3-bromophenyl)-8-[(3-bromophenyl)methylidene]-5,7-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile |
| MolecularFormula | C29H23N3OBr2 |
| Smiles | NC(OC(/C(/CN(Cc1ccccc1)C1)=C/c2cccc(Br)c2)=C1C1c2cc(Br)ccc2)=C1C#N |
| InChI | InChI=1S/C29H23Br2N3O/c30-23-10-4-8-20(13-23)12-22-17-34(16-19-6-2-1-3-7-19)18-26-27(21-9-5-11-24(31)14-21)25(15-32)29(33)35-28(22)26/h1-14,27H,16-18,33H2/t27-/m1/s1 |
| InChIK | SLCXWSRZDIKMAU-HHHXNRCGSA-N |
| TotalMolweight | 589.33 |
| Molweight | 589.33 |
| MonoisotopicMass | 587.020784 |
| CLogP | 6.6367 |
| CLogS | -8.285 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 377.9 |
| Relative PSA | 0.11215 |
| PolarSurfaceArea | 62.28 |
| Druglikeness | -3.26 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | polar activated DB |
| Shape Index | 0.37143 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 2 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (8E)-2-amino-6-benzyl-4-(3-bromophenyl)-8-[(3-bromophenyl)methylidene]-5,7-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile | 2 - (8E)-2-amino-6-benzyl-4-(3-bromophenyl)-8-[(3-bromophenyl)methylidene]-5,7-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
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