N-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide
Formula:C23H16N3O4ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide |
| MolecularFormula | C23H16N3O4ClS |
| Smiles | [O-][N+](c(cc1)cc2c1sc(C(N/N=C\c(cc1)ccc1OCc(cccc1)c1Cl)=O)c2)=O |
| InChI | InChI=1S/C23H16ClN3O4S/c24-20-4-2-1-3-16(20)14-31-19-8-5-15(6-9-19)13-25-26-23(28)22-12-17-11-18(27(29)30)7-10-21(17)32-22/h1-13H,14H2,(H,26,28) |
| InChIK | GIPGZZVGVLBRIY-UHFFFAOYSA-N |
| TotalMolweight | 465.916 |
| Molweight | 465.916 |
| MonoisotopicMass | 465.055004 |
| CLogP | 5.1553 |
| CLogS | -7.607 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 340.14 |
| Relative PSA | 0.28456 |
| 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 | 0.65625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide | 2 - N-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide
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