N-phenyl-2-[(Z)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Formula:C33H28N2O2S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-phenyl-2-[(Z)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is not a drug-like molecule.
| MolName | N-phenyl-2-[(Z)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide |
| MolecularFormula | C33H28N2O2S |
| Smiles | O=C(c1c(/N=C\c(c2ccccc2cc2)c2OCc2ccccc2)sc2c1CCCC2)Nc1ccccc1 |
| InChI | InChI=1S/C33H28N2O2S/c36-32(35-25-14-5-2-6-15-25)31-27-17-9-10-18-30(27)38-33(31)34-21-28-26-16-8-7-13-24(26)19-20-29(28)37-22-23-11-3-1-4-12-23/h1-8,11-16,19-21H,9-10,17-18,22H2,(H,35,36) |
| InChIK | DLAGUXSNSWTVSQ-UHFFFAOYSA-N |
| TotalMolweight | 516.663 |
| Molweight | 516.663 |
| MonoisotopicMass | 516.187148 |
| CLogP | 7.9364 |
| CLogS | -8.869 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 402.35 |
| Relative PSA | 0.16496 |
| PolarSurfaceArea | 78.93 |
| Druglikeness | -0.75333 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.47368 |
| Fragments | 1 |
| Non HAtoms | 38 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 7 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 27 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - N-phenyl-2-[(Z)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide | 2 - N-phenyl-2-[(Z)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
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