N-cyclohexyl-2-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Formula:C29H32N2O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-cyclohexyl-2-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is not a drug-like molecule.
| MolName | N-cyclohexyl-2-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide |
| MolecularFormula | C29H32N2O2S |
| Smiles | O=C(c1c(/N=C\c(cc2)ccc2OCc2ccccc2)sc2c1CCCC2)NC1CCCCC1 |
| InChI | InChI=1S/C29H32N2O2S/c32-28(31-23-11-5-2-6-12-23)27-25-13-7-8-14-26(25)34-29(27)30-19-21-15-17-24(18-16-21)33-20-22-9-3-1-4-10-22/h1,3-4,9-10,15-19,23H,2,5-8,11-14,20H2,(H,31,32) |
| InChIK | UCMDQEIQXVBTCS-UHFFFAOYSA-N |
| TotalMolweight | 472.651 |
| Molweight | 472.651 |
| MonoisotopicMass | 472.218448 |
| CLogP | 6.589 |
| CLogS | -7.33 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 375.79 |
| Relative PSA | 0.17661 |
| PolarSurfaceArea | 78.93 |
| Druglikeness | 0.15489 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.58824 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 12 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon |
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1 - N-cyclohexyl-2-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide | 2 - N-cyclohexyl-2-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
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