N-[(Z)-[3-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide
Formula:C23H16N3O4FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[3-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[3-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide |
| MolecularFormula | C23H16N3O4FS |
| Smiles | [O-][N+](c(cc1)cc2c1sc(C(N/N=C\c1cc(OCc(cc3)ccc3F)ccc1)=O)c2)=O |
| InChI | InChI=1S/C23H16FN3O4S/c24-18-6-4-15(5-7-18)14-31-20-3-1-2-16(10-20)13-25-26-23(28)22-12-17-11-19(27(29)30)8-9-21(17)32-22/h1-13H,14H2,(H,26,28) |
| InChIK | RAAKVTDLBANHNY-UHFFFAOYSA-N |
| TotalMolweight | 449.461 |
| Molweight | 449.461 |
| MonoisotopicMass | 449.084555 |
| CLogP | 4.6501 |
| CLogS | -7.185 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 331.07 |
| Relative PSA | 0.29236 |
| PolarSurfaceArea | 124.75 |
| Druglikeness | -0.95927 |
| 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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