N-[(Z)-(2-chlorophenyl)methylideneamino]-5-[(4,5-dichloroimidazol-1-yl)methyl]furan-2-carboxamide
Formula:C16H11N4O2Cl3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-chlorophenyl)methylideneamino]-5-[(4,5-dichloroimidazol-1-yl)methyl]furan-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(2-chlorophenyl)methylideneamino]-5-[(4,5-dichloroimidazol-1-yl)methyl]furan-2-carboxamide |
| MolecularFormula | C16H11N4O2Cl3 |
| Smiles | O=C(c1ccc(Cn(cn2)c(Cl)c2Cl)o1)N/N=C\c(cccc1)c1Cl |
| InChI | InChI=1S/C16H11Cl3N4O2/c17-12-4-2-1-3-10(12)7-21-22-16(24)13-6-5-11(25-13)8-23-9-20-14(18)15(23)19/h1-7,9H,8H2,(H,22,24) |
| InChIK | OLWUJRGMDKCASG-UHFFFAOYSA-N |
| TotalMolweight | 397.648 |
| Molweight | 397.648 |
| MonoisotopicMass | 395.994757 |
| CLogP | 4.1076 |
| CLogS | -4.429 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 284.42 |
| Relative PSA | 0.23894 |
| PolarSurfaceArea | 72.42 |
| Druglikeness | 7.3621 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | 1,2-dihalo-alkene; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-(2-chlorophenyl)methylideneamino]-5-[(4,5-dichloroimidazol-1-yl)methyl]furan-2-carboxamide | 2 - N-[(Z)-(2-chlorophenyl)methylideneamino]-5-[(4,5-dichloroimidazol-1-yl)methyl]furan-2-carboxamide
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