N-[(E)-[amino(pyridin-3-yl)methylidene]amino]-3-[(2,4-dichlorophenyl)methoxy]thiophene-2-carboxamide
Formula:C18H14N4O2Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-[amino(pyridin-3-yl)methylidene]amino]-3-[(2,4-dichlorophenyl)methoxy]thiophene-2-carboxamide is a drug-like molecule.
| MolName | N-[(E)-[amino(pyridin-3-yl)methylidene]amino]-3-[(2,4-dichlorophenyl)methoxy]thiophene-2-carboxamide |
| MolecularFormula | C18H14N4O2Cl2S |
| Smiles | N/C(/c1cnccc1)=N/NC(c(scc1)c1OCc(ccc(Cl)c1)c1Cl)=O |
| InChI | InChI=1S/C18H14Cl2N4O2S/c19-13-4-3-12(14(20)8-13)10-26-15-5-7-27-16(15)18(25)24-23-17(21)11-2-1-6-22-9-11/h1-9H,10H2,(H2,21,23)(H,24,25) |
| InChIK | RSMCVGOCCMASSX-UHFFFAOYSA-N |
| TotalMolweight | 421.307 |
| Molweight | 421.307 |
| MonoisotopicMass | 420.02145 |
| CLogP | 3.7814 |
| CLogS | -5.514 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 302.78 |
| Relative PSA | 0.30587 |
| PolarSurfaceArea | 117.84 |
| Druglikeness | 4.307 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N-[(E)-[amino(pyridin-3-yl)methylidene]amino]-3-[(2,4-dichlorophenyl)methoxy]thiophene-2-carboxamide | 2 - N-[(E)-[amino(pyridin-3-yl)methylidene]amino]-3-[(2,4-dichlorophenyl)methoxy]thiophene-2-carboxamide
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