2-(2,6-dichlorophenyl)-2-(6-phenylsulfanylpyridazin-3-yl)acetamide
Formula:C18H13N3OCl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(2,6-dichlorophenyl)-2-(6-phenylsulfanylpyridazin-3-yl)acetamide is a drug-like molecule.
| MolName | 2-(2,6-dichlorophenyl)-2-(6-phenylsulfanylpyridazin-3-yl)acetamide |
| MolecularFormula | C18H13N3OCl2S |
| Smiles | NC(C(c(cc1)nnc1Sc1ccccc1)c(c(Cl)ccc1)c1Cl)=O |
| InChI | InChI=1S/C18H13Cl2N3OS/c19-12-7-4-8-13(20)16(12)17(18(21)24)14-9-10-15(23-22-14)25-11-5-2-1-3-6-11/h1-10,17H,(H2,21,24)/t17-/m0/s1 |
| InChIK | KNYQYXSUQUVOAS-KRWDZBQOSA-N |
| TotalMolweight | 390.293 |
| Molweight | 390.293 |
| MonoisotopicMass | 389.015636 |
| CLogP | 3.6273 |
| CLogS | -4.618 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 277.4 |
| Relative PSA | 0.2442 |
| PolarSurfaceArea | 94.17 |
| Druglikeness | 1.5854 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon | racemate |
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1 - 2-(2,6-dichlorophenyl)-2-(6-phenylsulfanylpyridazin-3-yl)acetamide | 2 - 2-(2,6-dichlorophenyl)-2-(6-phenylsulfanylpyridazin-3-yl)acetamide
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