(E)-3-(3-bromo-4-fluorophenyl)-N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]prop-2-enamide
Formula:C20H14N4OBrF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(3-bromo-4-fluorophenyl)-N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(3-bromo-4-fluorophenyl)-N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]prop-2-enamide |
| MolecularFormula | C20H14N4OBrF |
| Smiles | N#Cc1cccc(Cn2ncc(NC(/C=C/c(cc3)cc(Br)c3F)=O)c2)c1 |
| InChI | InChI=1S/C20H14BrFN4O/c21-18-9-14(4-6-19(18)22)5-7-20(27)25-17-11-24-26(13-17)12-16-3-1-2-15(8-16)10-23/h1-9,11,13H,12H2,(H,25,27) |
| InChIK | CXIFTSOJKPMLSO-UHFFFAOYSA-N |
| TotalMolweight | 425.26 |
| Molweight | 425.26 |
| MonoisotopicMass | 424.0335 |
| CLogP | 3.2177 |
| CLogS | -4.976 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 296.9 |
| Relative PSA | 0.18828 |
| PolarSurfaceArea | 70.71 |
| Druglikeness | -3.4476 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - (E)-3-(3-bromo-4-fluorophenyl)-N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]prop-2-enamide | 2 - (E)-3-(3-bromo-4-fluorophenyl)-N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]prop-2-enamide
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