3-(4-chlorophenyl)sulfanyl-N-[(Z)-[4-(thietan-3-yloxy)phenyl]methylideneamino]propanamide
Formula:C19H19N2O2ClS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
3-(4-chlorophenyl)sulfanyl-N-[(Z)-[4-(thietan-3-yloxy)phenyl]methylideneamino]propanamide is a drug-like molecule.
| MolName | 3-(4-chlorophenyl)sulfanyl-N-[(Z)-[4-(thietan-3-yloxy)phenyl]methylideneamino]propanamide |
| MolecularFormula | C19H19N2O2ClS2 |
| Smiles | O=C(CCSc(cc1)ccc1Cl)N/N=C\c(cc1)ccc1OC1CSC1 |
| InChI | InChI=1S/C19H19ClN2O2S2/c20-15-3-7-18(8-4-15)26-10-9-19(23)22-21-11-14-1-5-16(6-2-14)24-17-12-25-13-17/h1-8,11,17H,9-10,12-13H2,(H,22,23) |
| InChIK | DLPCJMLEDHTYDU-UHFFFAOYSA-N |
| TotalMolweight | 406.957 |
| Molweight | 406.957 |
| MonoisotopicMass | 406.057645 |
| CLogP | 4.5194 |
| CLogS | -6.118 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 301.43 |
| Relative PSA | 0.26869 |
| PolarSurfaceArea | 101.29 |
| Druglikeness | 4.7367 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.76923 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 5 |
| StereoCon |
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1 - 3-(4-chlorophenyl)sulfanyl-N-[(Z)-[4-(thietan-3-yloxy)phenyl]methylideneamino]propanamide | 2 - 3-(4-chlorophenyl)sulfanyl-N-[(Z)-[4-(thietan-3-yloxy)phenyl]methylideneamino]propanamide
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