N-benzyl-2-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Formula:C30H28N2O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-benzyl-2-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is not a drug-like molecule.
| MolName | N-benzyl-2-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide |
| MolecularFormula | C30H28N2O2S |
| Smiles | O=C(c1c(/N=C\c(cc2)ccc2OCc2ccccc2)sc2c1CCCC2)NCc1ccccc1 |
| InChI | InChI=1S/C30H28N2O2S/c33-29(31-19-22-9-3-1-4-10-22)28-26-13-7-8-14-27(26)35-30(28)32-20-23-15-17-25(18-16-23)34-21-24-11-5-2-6-12-24/h1-6,9-12,15-18,20H,7-8,13-14,19,21H2,(H,31,33) |
| InChIK | ZCZZUEBNCWYBHG-UHFFFAOYSA-N |
| TotalMolweight | 480.63 |
| Molweight | 480.63 |
| MonoisotopicMass | 480.187148 |
| CLogP | 6.4514 |
| CLogS | -7.079 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 381.51 |
| Relative PSA | 0.17397 |
| PolarSurfaceArea | 78.93 |
| Druglikeness | -0.36813 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 8 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 7 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon |
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1 - N-benzyl-2-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide | 2 - N-benzyl-2-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
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