4-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-5,6-diphenyl-4,5-dihydro-2H-pyridin-3-one
Formula:C26H20NO2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-5,6-diphenyl-4,5-dihydro-2H-pyridin-3-one is not a drug-like molecule.
| MolName | 4-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-5,6-diphenyl-4,5-dihydro-2H-pyridin-3-one |
| MolecularFormula | C26H20NO2Cl |
| Smiles | O=C(C(C(c1ccccc1)C(c1ccccc1)=NC1)C1=O)/C=C/c(cc1)ccc1Cl |
| InChI | InChI=1S/C26H20ClNO2/c27-21-14-11-18(12-15-21)13-16-22(29)25-23(30)17-28-26(20-9-5-2-6-10-20)24(25)19-7-3-1-4-8-19/h1-16,24-25H,17H2 |
| InChIK | RQRCXSWMJGLQTL-UHFFFAOYSA-N |
| TotalMolweight | 413.903 |
| Molweight | 413.903 |
| MonoisotopicMass | 413.118256 |
| CLogP | 5.428 |
| CLogS | -6.255 |
| H Acceptors | 3 |
| TotalSurfaceArea | 318.43 |
| Relative PSA | 0.11805 |
| PolarSurfaceArea | 46.5 |
| Druglikeness | 3.2328 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 2 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| BasicNitrogens | 1 |
| StereoCon | unknown chirality |
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1 - 4-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-5,6-diphenyl-4,5-dihydro-2H-pyridin-3-one | 2 - 4-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-5,6-diphenyl-4,5-dihydro-2H-pyridin-3-one
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