2,4-dichloro-N-[(Z)-[4-[2-(furan-2-ylmethylamino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
Formula:C21H17N3O4Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2,4-dichloro-N-[(Z)-[4-[2-(furan-2-ylmethylamino)-2-oxoethoxy]phenyl]methylideneamino]benzamide is a drug-like molecule.
| MolName | 2,4-dichloro-N-[(Z)-[4-[2-(furan-2-ylmethylamino)-2-oxoethoxy]phenyl]methylideneamino]benzamide |
| MolecularFormula | C21H17N3O4Cl2 |
| Smiles | O=C(COc1ccc(/C=N\NC(c(ccc(Cl)c2)c2Cl)=O)cc1)NCc1ccco1 |
| InChI | InChI=1S/C21H17Cl2N3O4/c22-15-5-8-18(19(23)10-15)21(28)26-25-11-14-3-6-16(7-4-14)30-13-20(27)24-12-17-2-1-9-29-17/h1-11H,12-13H2,(H,24,27)(H,26,28) |
| InChIK | PYRKTOYPLVHEAQ-UHFFFAOYSA-N |
| TotalMolweight | 446.289 |
| Molweight | 446.289 |
| MonoisotopicMass | 445.059611 |
| CLogP | 4.0341 |
| CLogS | -5.983 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 334.01 |
| Relative PSA | 0.25335 |
| PolarSurfaceArea | 92.93 |
| Druglikeness | 5.0832 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - 2,4-dichloro-N-[(Z)-[4-[2-(furan-2-ylmethylamino)-2-oxoethoxy]phenyl]methylideneamino]benzamide | 2 - 2,4-dichloro-N-[(Z)-[4-[2-(furan-2-ylmethylamino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
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