N-[(Z)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-1,3-benzodioxole-5-carboxamide
Formula:C24H17N3O3Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-1,3-benzodioxole-5-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-1,3-benzodioxole-5-carboxamide |
| MolecularFormula | C24H17N3O3Cl2 |
| Smiles | O=C(c(cc1)cc2c1OCO2)N/N=C\c1cn(Cc(ccc(Cl)c2)c2Cl)c2c1cccc2 |
| InChI | InChI=1S/C24H17Cl2N3O3/c25-18-7-5-16(20(26)10-18)12-29-13-17(19-3-1-2-4-21(19)29)11-27-28-24(30)15-6-8-22-23(9-15)32-14-31-22/h1-11,13H,12,14H2,(H,28,30) |
| InChIK | BCLOUXXUEUXVBQ-UHFFFAOYSA-N |
| TotalMolweight | 466.323 |
| Molweight | 466.323 |
| MonoisotopicMass | 465.064696 |
| CLogP | 6.0547 |
| CLogS | -6.882 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 335.41 |
| Relative PSA | 0.18747 |
| PolarSurfaceArea | 64.85 |
| Druglikeness | 5.986 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.5625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-1,3-benzodioxole-5-carboxamide | 2 - N-[(Z)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-1,3-benzodioxole-5-carboxamide
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