N-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide
Formula:C23H15N3O4Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide |
| MolecularFormula | C23H15N3O4Cl2S |
| Smiles | [O-][N+](c(cc1)cc2c1sc(C(N/N=C\c(cc1)ccc1OCc(cc1)cc(Cl)c1Cl)=O)c2)=O |
| InChI | InChI=1S/C23H15Cl2N3O4S/c24-19-7-3-15(9-20(19)25)13-32-18-5-1-14(2-6-18)12-26-27-23(29)22-11-16-10-17(28(30)31)4-8-21(16)33-22/h1-12H,13H2,(H,27,29) |
| InChIK | KRZZASBPZHKBAN-UHFFFAOYSA-N |
| TotalMolweight | 500.361 |
| Molweight | 500.361 |
| MonoisotopicMass | 499.016031 |
| CLogP | 5.7613 |
| CLogS | -8.343 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 355.56 |
| Relative PSA | 0.27222 |
| PolarSurfaceArea | 124.75 |
| Druglikeness | 0.42735 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide | 2 - N-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off