(E)-3-(2-chloro-6-fluorophenyl)-N-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]prop-2-enamide
Formula:C21H19N3O2ClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(2-chloro-6-fluorophenyl)-N-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(2-chloro-6-fluorophenyl)-N-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]prop-2-enamide |
| MolecularFormula | C21H19N3O2ClF |
| Smiles | O=C(/C=C/c(c(F)ccc1)c1Cl)Nc1cn(CCOCc2ccccc2)nc1 |
| InChI | InChI=1S/C21H19ClFN3O2/c22-19-7-4-8-20(23)18(19)9-10-21(27)25-17-13-24-26(14-17)11-12-28-15-16-5-2-1-3-6-16/h1-10,13-14H,11-12,15H2,(H,25,27) |
| InChIK | VHDGVZJFDLBUFD-UHFFFAOYSA-N |
| TotalMolweight | 399.852 |
| Molweight | 399.852 |
| MonoisotopicMass | 399.114982 |
| CLogP | 3.0807 |
| CLogS | -4.264 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 309.5 |
| Relative PSA | 0.16911 |
| PolarSurfaceArea | 56.15 |
| Druglikeness | 1.2938 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.67857 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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