N-(4-nitrophenyl)-N-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]furan-2-carboxamide
Formula:C20H12N2O5S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(4-nitrophenyl)-N-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]furan-2-carboxamide is a drug-like molecule.
| MolName | N-(4-nitrophenyl)-N-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]furan-2-carboxamide |
| MolecularFormula | C20H12N2O5S |
| Smiles | [O-][N+](c(cc1)ccc1N(/C=C1\Sc(cccc2)c2C1=O)C(c1ccco1)=O)=O |
| InChI | InChI=1S/C20H12N2O5S/c23-19-15-4-1-2-6-17(15)28-18(19)12-21(20(24)16-5-3-11-27-16)13-7-9-14(10-8-13)22(25)26/h1-12H |
| InChIK | LDBSFORQLXHYMI-UHFFFAOYSA-N |
| TotalMolweight | 392.39 |
| Molweight | 392.39 |
| MonoisotopicMass | 392.046693 |
| CLogP | 2.2574 |
| CLogS | -6.272 |
| H Acceptors | 7 |
| TotalSurfaceArea | 280.64 |
| Relative PSA | 0.32657 |
| PolarSurfaceArea | 121.64 |
| Druglikeness | -1.6111 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.46429 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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