3-phenylsulfanyl-N-[(Z)-[4-(thietan-3-yloxy)phenyl]methylideneamino]propanamide
Formula:C19H20N2O2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-phenylsulfanyl-N-[(Z)-[4-(thietan-3-yloxy)phenyl]methylideneamino]propanamide is a drug-like molecule.
| MolName | 3-phenylsulfanyl-N-[(Z)-[4-(thietan-3-yloxy)phenyl]methylideneamino]propanamide |
| MolecularFormula | C19H20N2O2S2 |
| Smiles | O=C(CCSc1ccccc1)N/N=C\c(cc1)ccc1OC1CSC1 |
| InChI | InChI=1S/C19H20N2O2S2/c22-19(10-11-25-18-4-2-1-3-5-18)21-20-12-15-6-8-16(9-7-15)23-17-13-24-14-17/h1-9,12,17H,10-11,13-14H2,(H,21,22) |
| InChIK | NCYLHNOPVYEFQR-UHFFFAOYSA-N |
| TotalMolweight | 372.512 |
| Molweight | 372.512 |
| MonoisotopicMass | 372.096618 |
| CLogP | 3.9134 |
| CLogS | -5.382 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 286.01 |
| Relative PSA | 0.28317 |
| PolarSurfaceArea | 101.29 |
| Druglikeness | 4.6891 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.76 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 5 |
| StereoCon |
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