N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
Formula:C24H20N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2,2-diphenylcyclopropane-1-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2,2-diphenylcyclopropane-1-carboxamide |
| MolecularFormula | C24H20N2O3 |
| Smiles | O=C(C(C1)C1(c1ccccc1)c1ccccc1)N/N=C\c(cc1)cc2c1OCO2 |
| InChI | InChI=1S/C24H20N2O3/c27-23(26-25-15-17-11-12-21-22(13-17)29-16-28-21)20-14-24(20,18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-13,15,20H,14,16H2,(H,26,27)/t20-/m1/s1 |
| InChIK | AUJDAFPYGRENTR-HXUWFJFHSA-N |
| TotalMolweight | 384.434 |
| Molweight | 384.434 |
| MonoisotopicMass | 384.147393 |
| CLogP | 4.9192 |
| CLogS | -5.413 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 290.18 |
| Relative PSA | 0.19302 |
| PolarSurfaceArea | 59.92 |
| Druglikeness | 5.4556 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51724 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 6 |
| Symmetricatoms | 8 |
| StereoCon | racemate |
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1 - N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2,2-diphenylcyclopropane-1-carboxamide | 2 - N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
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