2-(4-fluorophenyl)-4-[(E)-2-(4-fluorophenyl)ethenyl]-2,3-dihydro-1H-1,5-benzodiazepine
Formula:C23H18N2F2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(4-fluorophenyl)-4-[(E)-2-(4-fluorophenyl)ethenyl]-2,3-dihydro-1H-1,5-benzodiazepine is a drug-like molecule.
| MolName | 2-(4-fluorophenyl)-4-[(E)-2-(4-fluorophenyl)ethenyl]-2,3-dihydro-1H-1,5-benzodiazepine |
| MolecularFormula | C23H18N2F2 |
| Smiles | Fc1ccc(C(C2)Nc(cccc3)c3N=C2/C=C/c(cc2)ccc2F)cc1 |
| InChI | InChI=1S/C23H18F2N2/c24-18-10-5-16(6-11-18)7-14-20-15-23(17-8-12-19(25)13-9-17)27-22-4-2-1-3-21(22)26-20/h1-14,23,27H,15H2/t23-/m0/s1 |
| InChIK | ITSMPNKTRJGRKQ-QHCPKHFHSA-N |
| TotalMolweight | 360.406 |
| Molweight | 360.406 |
| MonoisotopicMass | 360.143804 |
| CLogP | 4.8609 |
| CLogS | -5.562 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 279.17 |
| Relative PSA | 0.08228 |
| PolarSurfaceArea | 24.39 |
| Druglikeness | -0.67166 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - 2-(4-fluorophenyl)-4-[(E)-2-(4-fluorophenyl)ethenyl]-2,3-dihydro-1H-1,5-benzodiazepine | 2 - 2-(4-fluorophenyl)-4-[(E)-2-(4-fluorophenyl)ethenyl]-2,3-dihydro-1H-1,5-benzodiazepine
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