N-[(Z)-pyridin-4-ylmethylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Formula:C15H15N3OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-pyridin-4-ylmethylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-pyridin-4-ylmethylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide |
| MolecularFormula | C15H15N3OS |
| Smiles | O=C(c1csc2c1CCCC2)N/N=C\c1ccncc1 |
| InChI | InChI=1S/C15H15N3OS/c19-15(18-17-9-11-5-7-16-8-6-11)13-10-20-14-4-2-1-3-12(13)14/h5-10H,1-4H2,(H,18,19) |
| InChIK | JUMQTJFRRDADMY-UHFFFAOYSA-N |
| TotalMolweight | 285.37 |
| Molweight | 285.37 |
| MonoisotopicMass | 285.093582 |
| CLogP | 3.2241 |
| CLogS | -4.028 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 223.23 |
| Relative PSA | 0.30166 |
| PolarSurfaceArea | 82.59 |
| Druglikeness | 1.3433 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-pyridin-4-ylmethylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide | 2 - N-[(Z)-pyridin-4-ylmethylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
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