(1S)-N-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
Formula:C24H19N3O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(1S)-N-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide is a drug-like molecule.
| MolName | (1S)-N-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide |
| MolecularFormula | C24H19N3O5 |
| Smiles | [O-][N+](c1c(/C=N\NC([C@@H](C2)C2(c2ccccc2)c2ccccc2)=O)cc2OCOc2c1)=O |
| InChI | InChI=1S/C24H19N3O5/c28-23(26-25-14-16-11-21-22(32-15-31-21)12-20(16)27(29)30)19-13-24(19,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-12,14,19H,13,15H2,(H,26,28)/t19-/m1/s1 |
| InChIK | OYQQGPVQGFNAKZ-LJQANCHMSA-N |
| TotalMolweight | 429.431 |
| Molweight | 429.431 |
| MonoisotopicMass | 429.132472 |
| CLogP | 3.9976 |
| CLogS | -5.873 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 313.85 |
| Relative PSA | 0.27539 |
| PolarSurfaceArea | 105.74 |
| Druglikeness | 0.35641 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.46875 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 7 |
| Symmetricatoms | 8 |
| AcidicOxygens | 1 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - (1S)-N-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide | 2 - (1S)-N-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
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