2-chloro-N-[(Z)-[4-(2-chloro-5-fluoropyrimidin-4-yl)oxyphenyl]methylideneamino]benzamide
Formula:C18H11N4O2Cl2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-chloro-N-[(Z)-[4-(2-chloro-5-fluoropyrimidin-4-yl)oxyphenyl]methylideneamino]benzamide is a drug-like molecule.
| MolName | 2-chloro-N-[(Z)-[4-(2-chloro-5-fluoropyrimidin-4-yl)oxyphenyl]methylideneamino]benzamide |
| MolecularFormula | C18H11N4O2Cl2F |
| Smiles | O=C(c(cccc1)c1Cl)N/N=C\c(cc1)ccc1Oc(nc(nc1)Cl)c1F |
| InChI | InChI=1S/C18H11Cl2FN4O2/c19-14-4-2-1-3-13(14)16(26)25-23-9-11-5-7-12(8-6-11)27-17-15(21)10-22-18(20)24-17/h1-10H,(H,25,26) |
| InChIK | JIAKSVMSDLCCBV-UHFFFAOYSA-N |
| TotalMolweight | 405.215 |
| Molweight | 405.215 |
| MonoisotopicMass | 404.024308 |
| CLogP | 4.9403 |
| CLogS | -7.094 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 291.46 |
| Relative PSA | 0.23314 |
| 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 | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 2-chloro-N-[(Z)-[4-(2-chloro-5-fluoropyrimidin-4-yl)oxyphenyl]methylideneamino]benzamide | 2 - 2-chloro-N-[(Z)-[4-(2-chloro-5-fluoropyrimidin-4-yl)oxyphenyl]methylideneamino]benzamide
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