N-[(Z)-[4-(2-chloro-5-fluoropyrimidin-4-yl)oxyphenyl]methylideneamino]naphthalene-2-carboxamide
Formula:C22H14N4O2ClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-(2-chloro-5-fluoropyrimidin-4-yl)oxyphenyl]methylideneamino]naphthalene-2-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-[4-(2-chloro-5-fluoropyrimidin-4-yl)oxyphenyl]methylideneamino]naphthalene-2-carboxamide |
| MolecularFormula | C22H14N4O2ClF |
| Smiles | O=C(c1cc2ccccc2cc1)N/N=C\c(cc1)ccc1Oc(nc(nc1)Cl)c1F |
| InChI | InChI=1S/C22H14ClFN4O2/c23-22-25-13-19(24)21(27-22)30-18-9-5-14(6-10-18)12-26-28-20(29)17-8-7-15-3-1-2-4-16(15)11-17/h1-13H,(H,28,29) |
| InChIK | VBGBVMWHSVMVRZ-UHFFFAOYSA-N |
| TotalMolweight | 420.83 |
| Molweight | 420.83 |
| MonoisotopicMass | 420.078931 |
| CLogP | 5.5287 |
| CLogS | -7.964 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 310.64 |
| Relative PSA | 0.21874 |
| PolarSurfaceArea | 76.47 |
| Druglikeness | 2.9958 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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