N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-5-(2-chloro-4-nitrophenyl)furan-2-carboxamide
Formula:C27H19N4O4Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-5-(2-chloro-4-nitrophenyl)furan-2-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-5-(2-chloro-4-nitrophenyl)furan-2-carboxamide |
| MolecularFormula | C27H19N4O4Cl |
| Smiles | [O-][N+](c(cc1)cc(Cl)c1-c1ccc(C(N/N=C\c2cn(Cc3ccccc3)c3c2cccc3)=O)o1)=O |
| InChI | InChI=1S/C27H19ClN4O4/c28-23-14-20(32(34)35)10-11-22(23)25-12-13-26(36-25)27(33)30-29-15-19-17-31(16-18-6-2-1-3-7-18)24-9-5-4-8-21(19)24/h1-15,17H,16H2,(H,30,33) |
| InChIK | WSPLHAJDJUAHSO-UHFFFAOYSA-N |
| TotalMolweight | 498.925 |
| Molweight | 498.925 |
| MonoisotopicMass | 498.109483 |
| CLogP | 5.3546 |
| CLogS | -7.355 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 372.85 |
| Relative PSA | 0.23444 |
| PolarSurfaceArea | 105.35 |
| Druglikeness | 2.0482 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 26 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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