N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-diphenylphosphorylacetamide
Formula:C22H19N2O4P
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-diphenylphosphorylacetamide is a drug-like molecule.
| MolName | N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-diphenylphosphorylacetamide |
| MolecularFormula | C22H19N2O4P |
| Smiles | O=C(CP(c1ccccc1)(c1ccccc1)=O)N/N=C\c(cc1)cc2c1OCO2 |
| InChI | InChI=1S/C22H19N2O4P/c25-22(24-23-14-17-11-12-20-21(13-17)28-16-27-20)15-29(26,18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14H,15-16H2,(H,24,25) |
| InChIK | CSRORKNUIUPGPH-UHFFFAOYSA-N |
| TotalMolweight | 406.377 |
| Molweight | 406.377 |
| MonoisotopicMass | 406.108245 |
| CLogP | 4.3269 |
| CLogS | -6.29 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 304.54 |
| Relative PSA | 0.2398 |
| PolarSurfaceArea | 86.8 |
| Druglikeness | -10.102 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51724 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 8 |
| StereoCon |
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1 - N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-diphenylphosphorylacetamide | 2 - N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-diphenylphosphorylacetamide
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