2-(1,3-benzodioxol-5-yl)-N-[(Z)-[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]acetamide
Formula:C23H18N2O4Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(1,3-benzodioxol-5-yl)-N-[(Z)-[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-(1,3-benzodioxol-5-yl)-N-[(Z)-[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]acetamide |
| MolecularFormula | C23H18N2O4Cl2 |
| Smiles | O=C(Cc(cc1)cc2c1OCO2)N/N=C\c(cc(cc1)Cl)c1OCc1cc(Cl)ccc1 |
| InChI | InChI=1S/C23H18Cl2N2O4/c24-18-3-1-2-16(8-18)13-29-20-7-5-19(25)11-17(20)12-26-27-23(28)10-15-4-6-21-22(9-15)31-14-30-21/h1-9,11-12H,10,13-14H2,(H,27,28) |
| InChIK | IIBACIXXHGYRIN-UHFFFAOYSA-N |
| TotalMolweight | 457.312 |
| Molweight | 457.312 |
| MonoisotopicMass | 456.064362 |
| CLogP | 5.8712 |
| CLogS | -7.21 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 335.37 |
| Relative PSA | 0.19683 |
| PolarSurfaceArea | 69.15 |
| Druglikeness | 4.0051 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58065 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 6 |
| StereoCon |
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1 - 2-(1,3-benzodioxol-5-yl)-N-[(Z)-[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]acetamide | 2 - 2-(1,3-benzodioxol-5-yl)-N-[(Z)-[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]acetamide
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