N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2-(2-nitrophenoxy)acetamide
Formula:C24H20N4O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2-(2-nitrophenoxy)acetamide is a drug-like molecule.
| MolName | N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2-(2-nitrophenoxy)acetamide |
| MolecularFormula | C24H20N4O4 |
| Smiles | [O-][N+](c(cccc1)c1OCC(N/N=C\c1cn(Cc2ccccc2)c2c1cccc2)=O)=O |
| InChI | InChI=1S/C24H20N4O4/c29-24(17-32-23-13-7-6-12-22(23)28(30)31)26-25-14-19-16-27(15-18-8-2-1-3-9-18)21-11-5-4-10-20(19)21/h1-14,16H,15,17H2,(H,26,29) |
| InChIK | YHYFMFAZKIEFDC-UHFFFAOYSA-N |
| TotalMolweight | 428.447 |
| Molweight | 428.447 |
| MonoisotopicMass | 428.148456 |
| CLogP | 3.3846 |
| CLogS | -4.939 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 331.74 |
| Relative PSA | 0.2511 |
| PolarSurfaceArea | 101.44 |
| Druglikeness | 0.83833 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.5625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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