2-anilino-N-[(E)-(3-nitro-4-quinolin-8-ylsulfanylphenyl)methylideneamino]acetamide
Formula:C24H19N5O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-anilino-N-[(E)-(3-nitro-4-quinolin-8-ylsulfanylphenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-anilino-N-[(E)-(3-nitro-4-quinolin-8-ylsulfanylphenyl)methylideneamino]acetamide |
| MolecularFormula | C24H19N5O3S |
| Smiles | [O-][N+](c(cc(/C=N/NC(CNc1ccccc1)=O)cc1)c1Sc1cccc2cccnc12)=O |
| InChI | InChI=1S/C24H19N5O3S/c30-23(16-26-19-8-2-1-3-9-19)28-27-15-17-11-12-21(20(14-17)29(31)32)33-22-10-4-6-18-7-5-13-25-24(18)22/h1-15,26H,16H2,(H,28,30) |
| InChIK | FLPOONHAJDEUEV-UHFFFAOYSA-N |
| TotalMolweight | 457.513 |
| Molweight | 457.513 |
| MonoisotopicMass | 457.12086 |
| CLogP | 3.709 |
| CLogS | -6.495 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 346.49 |
| Relative PSA | 0.30694 |
| PolarSurfaceArea | 137.5 |
| Druglikeness | 0.11701 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.60606 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-anilino-N-[(E)-(3-nitro-4-quinolin-8-ylsulfanylphenyl)methylideneamino]acetamide | 2 - 2-anilino-N-[(E)-(3-nitro-4-quinolin-8-ylsulfanylphenyl)methylideneamino]acetamide
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