N-benzyl-2-[(Z)-thiophen-2-ylmethylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Formula:C21H20N2OS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-benzyl-2-[(Z)-thiophen-2-ylmethylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is a drug-like molecule.
| MolName | N-benzyl-2-[(Z)-thiophen-2-ylmethylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide |
| MolecularFormula | C21H20N2OS2 |
| Smiles | O=C(c1c(/N=C\c2cccs2)sc2c1CCCC2)NCc1ccccc1 |
| InChI | InChI=1S/C21H20N2OS2/c24-20(22-13-15-7-2-1-3-8-15)19-17-10-4-5-11-18(17)26-21(19)23-14-16-9-6-12-25-16/h1-3,6-9,12,14H,4-5,10-11,13H2,(H,22,24) |
| InChIK | UYZDDWHZKHALQO-UHFFFAOYSA-N |
| TotalMolweight | 380.535 |
| Molweight | 380.535 |
| MonoisotopicMass | 380.101703 |
| CLogP | 4.9699 |
| CLogS | -5.748 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 293.93 |
| Relative PSA | 0.26105 |
| PolarSurfaceArea | 97.94 |
| Druglikeness | 0.48744 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - N-benzyl-2-[(Z)-thiophen-2-ylmethylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide | 2 - N-benzyl-2-[(Z)-thiophen-2-ylmethylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
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