N-[2-[(2Z)-2-[(5-nitrothiophen-2-yl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide
Formula:C21H18N4O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[2-[(2Z)-2-[(5-nitrothiophen-2-yl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide is a drug-like molecule.
| MolName | N-[2-[(2Z)-2-[(5-nitrothiophen-2-yl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide |
| MolecularFormula | C21H18N4O4S |
| Smiles | [O-][N+](c1ccc(/C=N\NC(CNC(C(c2ccccc2)c2ccccc2)=O)=O)s1)=O |
| InChI | InChI=1S/C21H18N4O4S/c26-18(24-23-13-17-11-12-19(30-17)25(28)29)14-22-21(27)20(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13,20H,14H2,(H,22,27)(H,24,26) |
| InChIK | PRYSRKRRLXPXRQ-UHFFFAOYSA-N |
| TotalMolweight | 422.464 |
| Molweight | 422.464 |
| MonoisotopicMass | 422.104876 |
| CLogP | 2.9456 |
| CLogS | -5.222 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 321.83 |
| Relative PSA | 0.3458 |
| PolarSurfaceArea | 144.62 |
| Druglikeness | 2.3226 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.56667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 8 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-[2-[(2Z)-2-[(5-nitrothiophen-2-yl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide | 2 - N-[2-[(2Z)-2-[(5-nitrothiophen-2-yl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide
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