(E)-3-[4-(3-fluoropropoxy)phenyl]-N-(2-pyridin-4-ylpyrimidin-4-yl)prop-2-enamide
Formula:C21H19N4O2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-[4-(3-fluoropropoxy)phenyl]-N-(2-pyridin-4-ylpyrimidin-4-yl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-[4-(3-fluoropropoxy)phenyl]-N-(2-pyridin-4-ylpyrimidin-4-yl)prop-2-enamide |
| MolecularFormula | C21H19N4O2F |
| Smiles | O=C(/C=C/c(cc1)ccc1OCCCF)Nc1nc(-c2ccncc2)ncc1 |
| InChI | InChI=1S/C21H19FN4O2/c22-11-1-15-28-18-5-2-16(3-6-18)4-7-20(27)25-19-10-14-24-21(26-19)17-8-12-23-13-9-17/h2-10,12-14H,1,11,15H2,(H,24,25,26,27) |
| InChIK | HWBPTFXLSJJCSJ-UHFFFAOYSA-N |
| TotalMolweight | 378.406 |
| Molweight | 378.406 |
| MonoisotopicMass | 378.149204 |
| CLogP | 3.1317 |
| CLogS | -5.032 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 302.4 |
| Relative PSA | 0.22292 |
| PolarSurfaceArea | 77 |
| Druglikeness | -2.209 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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