4-(1,3-benzodioxol-5-ylmethylamino)-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]benzamide
Formula:C23H19N3O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-(1,3-benzodioxol-5-ylmethylamino)-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]benzamide is a drug-like molecule.
| MolName | 4-(1,3-benzodioxol-5-ylmethylamino)-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]benzamide |
| MolecularFormula | C23H19N3O5 |
| Smiles | O=C(c(cc1)ccc1NCc(cc1)cc2c1OCO2)N/N=C\c(cc1)cc2c1OCO2 |
| InChI | InChI=1S/C23H19N3O5/c27-23(26-25-12-16-2-8-20-22(10-16)31-14-29-20)17-3-5-18(6-4-17)24-11-15-1-7-19-21(9-15)30-13-28-19/h1-10,12,24H,11,13-14H2,(H,26,27) |
| InChIK | JIRAYRXQHIYYSN-UHFFFAOYSA-N |
| TotalMolweight | 417.42 |
| Molweight | 417.42 |
| MonoisotopicMass | 417.132472 |
| CLogP | 4.4895 |
| CLogS | -6.526 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 312.49 |
| Relative PSA | 0.27991 |
| PolarSurfaceArea | 90.41 |
| Druglikeness | 4.7185 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64516 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - 4-(1,3-benzodioxol-5-ylmethylamino)-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]benzamide | 2 - 4-(1,3-benzodioxol-5-ylmethylamino)-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]benzamide
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