2-(4-chlorophenyl)sulfanyl-N-[(Z)-[4-(thietan-3-yloxy)phenyl]methylideneamino]acetamide
Formula:C18H17N2O2ClS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
2-(4-chlorophenyl)sulfanyl-N-[(Z)-[4-(thietan-3-yloxy)phenyl]methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(4-chlorophenyl)sulfanyl-N-[(Z)-[4-(thietan-3-yloxy)phenyl]methylideneamino]acetamide |
| MolecularFormula | C18H17N2O2ClS2 |
| Smiles | O=C(CSc(cc1)ccc1Cl)N/N=C\c(cc1)ccc1OC1CSC1 |
| InChI | InChI=1S/C18H17ClN2O2S2/c19-14-3-7-17(8-4-14)25-12-18(22)21-20-9-13-1-5-15(6-2-13)23-16-10-24-11-16/h1-9,16H,10-12H2,(H,21,22) |
| InChIK | ACQYWQCCQGMMPP-UHFFFAOYSA-N |
| TotalMolweight | 392.93 |
| Molweight | 392.93 |
| MonoisotopicMass | 392.041995 |
| CLogP | 4.065 |
| CLogS | -5.848 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 287.67 |
| Relative PSA | 0.28154 |
| PolarSurfaceArea | 101.29 |
| Druglikeness | 4.9763 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.76 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 5 |
| StereoCon |
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1 - 2-(4-chlorophenyl)sulfanyl-N-[(Z)-[4-(thietan-3-yloxy)phenyl]methylideneamino]acetamide | 2 - 2-(4-chlorophenyl)sulfanyl-N-[(Z)-[4-(thietan-3-yloxy)phenyl]methylideneamino]acetamide
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