N-[(Z)-2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-ylmethylideneamino]-1H-indole-7-carboxamide
Formula:C22H23N3O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-ylmethylideneamino]-1H-indole-7-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-ylmethylideneamino]-1H-indole-7-carboxamide |
| MolecularFormula | C22H23N3O5 |
| Smiles | O=C(c1c2[nH]ccc2ccc1)N/N=C\c(cc1)cc2c1OCCOCCOCCO2 |
| InChI | InChI=1S/C22H23N3O5/c26-22(18-3-1-2-17-6-7-23-21(17)18)25-24-15-16-4-5-19-20(14-16)30-13-11-28-9-8-27-10-12-29-19/h1-7,14-15,23H,8-13H2,(H,25,26) |
| InChIK | AYMIYVQTRLPZOE-UHFFFAOYSA-N |
| TotalMolweight | 409.441 |
| Molweight | 409.441 |
| MonoisotopicMass | 409.163772 |
| CLogP | 2.7514 |
| CLogS | -4.27 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 320.22 |
| Relative PSA | 0.28106 |
| PolarSurfaceArea | 94.17 |
| Druglikeness | -7.0117 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.56667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 10 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-ylmethylideneamino]-1H-indole-7-carboxamide | 2 - N-[(Z)-2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-ylmethylideneamino]-1H-indole-7-carboxamide
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