N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
Formula:C25H21N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide |
| MolecularFormula | C25H21N3O3 |
| Smiles | O=C(C1Oc(cccc2)c2OC1)N/N=C\c1cn(Cc2ccccc2)c2c1cccc2 |
| InChI | InChI=1S/C25H21N3O3/c29-25(24-17-30-22-12-6-7-13-23(22)31-24)27-26-14-19-16-28(15-18-8-2-1-3-9-18)21-11-5-4-10-20(19)21/h1-14,16,24H,15,17H2,(H,27,29)/t24-/m0/s1 |
| InChIK | BNSYUTTWEDMTQJ-DEOSSOPVSA-N |
| TotalMolweight | 411.46 |
| Molweight | 411.46 |
| MonoisotopicMass | 411.158292 |
| CLogP | 4.2734 |
| CLogS | -4.721 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 317.07 |
| Relative PSA | 0.19832 |
| PolarSurfaceArea | 64.85 |
| Druglikeness | 6.4273 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58065 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide | 2 - N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
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