N-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
Formula:C18H17N2OClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide |
| MolecularFormula | C18H17N2OClS |
| Smiles | O=C(c1cc(CCCC2)c2s1)N/N=C\C(\Cl)=C\c1ccccc1 |
| InChI | InChI=1S/C18H17ClN2OS/c19-15(10-13-6-2-1-3-7-13)12-20-21-18(22)17-11-14-8-4-5-9-16(14)23-17/h1-3,6-7,10-12H,4-5,8-9H2,(H,21,22) |
| InChIK | VMVPICTVOWMVDJ-UHFFFAOYSA-N |
| TotalMolweight | 344.865 |
| Molweight | 344.865 |
| MonoisotopicMass | 344.07501 |
| CLogP | 4.7871 |
| CLogS | -5.916 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 264.6 |
| Relative PSA | 0.21304 |
| PolarSurfaceArea | 69.7 |
| Druglikeness | 0.9193 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - N-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide | 2 - N-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
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