N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide
Formula:C19H14N6O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide is a drug-like molecule.
| MolName | N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide |
| MolecularFormula | C19H14N6O3S |
| Smiles | [O-][N+](c1ccc(/C=N\NC(Cn2c(-c3ncccc3)nc3c2cccc3)=O)s1)=O |
| InChI | InChI=1S/C19H14N6O3S/c26-17(23-21-11-13-8-9-18(29-13)25(27)28)12-24-16-7-2-1-5-14(16)22-19(24)15-6-3-4-10-20-15/h1-11H,12H2,(H,23,26) |
| InChIK | OSFJHOQYFXMWHB-UHFFFAOYSA-N |
| TotalMolweight | 406.425 |
| Molweight | 406.425 |
| MonoisotopicMass | 406.084809 |
| CLogP | 2.1259 |
| CLogS | -4.724 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 301.44 |
| Relative PSA | 0.38349 |
| PolarSurfaceArea | 146.23 |
| Druglikeness | 2.0218 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.55172 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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