N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]-1-benzothiophene-3-carboxamide
Formula:C23H18N2O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]-1-benzothiophene-3-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]-1-benzothiophene-3-carboxamide |
| MolecularFormula | C23H18N2O2S |
| Smiles | O=C(c1csc2c1cccc2)N/N=C\c1cc(OCc2ccccc2)ccc1 |
| InChI | InChI=1S/C23H18N2O2S/c26-23(21-16-28-22-12-5-4-11-20(21)22)25-24-14-18-9-6-10-19(13-18)27-15-17-7-2-1-3-8-17/h1-14,16H,15H2,(H,25,26) |
| InChIK | BNWGWWCOWYOCBE-UHFFFAOYSA-N |
| TotalMolweight | 386.474 |
| Molweight | 386.474 |
| MonoisotopicMass | 386.108898 |
| CLogP | 5.3887 |
| CLogS | -6.301 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 301.05 |
| Relative PSA | 0.22046 |
| PolarSurfaceArea | 78.93 |
| Druglikeness | 5.2227 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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