N-benzyl-N-[(E)-(1,6-diphenylpyrimidin-4-ylidene)amino]aniline
Formula:C29H24N4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-benzyl-N-[(E)-(1,6-diphenylpyrimidin-4-ylidene)amino]aniline is not a drug-like molecule.
| MolName | N-benzyl-N-[(E)-(1,6-diphenylpyrimidin-4-ylidene)amino]aniline |
| MolecularFormula | C29H24N4 |
| Smiles | C(c1ccccc1)N(c1ccccc1)/N=C1/N=CN(c2ccccc2)C(c2ccccc2)=C1 |
| InChI | InChI=1S/C29H24N4/c1-5-13-24(14-6-1)22-33(27-19-11-4-12-20-27)31-29-21-28(25-15-7-2-8-16-25)32(23-30-29)26-17-9-3-10-18-26/h1-21,23H,22H2 |
| InChIK | BKLYRSLOEVEPAG-UHFFFAOYSA-N |
| TotalMolweight | 428.538 |
| Molweight | 428.538 |
| MonoisotopicMass | 428.200096 |
| CLogP | 5.983 |
| CLogS | -6.229 |
| H Acceptors | 4 |
| TotalSurfaceArea | 345.84 |
| Relative PSA | 0.087092 |
| PolarSurfaceArea | 31.2 |
| Druglikeness | 4.3415 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.45455 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 1 |
| Symmetricatoms | 8 |
| BasicNitrogens | 2 |
| StereoCon |
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