N-[(Z)-[4-(2-chloro-5-fluoropyrimidin-4-yl)oxyphenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide
Formula:C25H18N4O3ClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-(2-chloro-5-fluoropyrimidin-4-yl)oxyphenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide is a drug-like molecule.
| MolName | N-[(Z)-[4-(2-chloro-5-fluoropyrimidin-4-yl)oxyphenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide |
| MolecularFormula | C25H18N4O3ClF |
| Smiles | OC(C(N/N=C\c(cc1)ccc1Oc(nc(nc1)Cl)c1F)=O)(c1ccccc1)c1ccccc1 |
| InChI | InChI=1S/C25H18ClFN4O3/c26-24-28-16-21(27)22(30-24)34-20-13-11-17(12-14-20)15-29-31-23(32)25(33,18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-16,33H,(H,31,32) |
| InChIK | CVSWGERKKVSTIU-UHFFFAOYSA-N |
| TotalMolweight | 476.894 |
| Molweight | 476.894 |
| MonoisotopicMass | 476.105146 |
| CLogP | 4.6146 |
| CLogS | -7.064 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 352.56 |
| Relative PSA | 0.22989 |
| PolarSurfaceArea | 96.7 |
| Druglikeness | 4.0419 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.52941 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 3 |
| Symmetricatoms | 10 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - N-[(Z)-[4-(2-chloro-5-fluoropyrimidin-4-yl)oxyphenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide | 2 - N-[(Z)-[4-(2-chloro-5-fluoropyrimidin-4-yl)oxyphenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide
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