N-[(Z)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide
Formula:C20H11N4O6ClS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide |
| MolecularFormula | C20H11N4O6ClS |
| Smiles | [O-][N+](c(cc1)cc2c1sc(C(N/N=C\c1ccc(-c(ccc([N+]([O-])=O)c3)c3Cl)o1)=O)c2)=O |
| InChI | InChI=1S/C20H11ClN4O6S/c21-16-9-13(25(29)30)1-4-15(16)17-5-3-14(31-17)10-22-23-20(26)19-8-11-7-12(24(27)28)2-6-18(11)32-19/h1-10H,(H,23,26) |
| InChIK | BLUYXBYWJDAFKC-UHFFFAOYSA-N |
| TotalMolweight | 470.848 |
| Molweight | 470.848 |
| MonoisotopicMass | 470.008783 |
| CLogP | 3.8245 |
| CLogS | -8.186 |
| H Acceptors | 10 |
| H Donors | 1 |
| TotalSurfaceArea | 329.74 |
| Relative PSA | 0.39825 |
| PolarSurfaceArea | 174.48 |
| Druglikeness | 2.4199 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 2 |
| AcidicOxygens | 2 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide | 2 - N-[(Z)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off