2-[(2-bromophenyl)methylsulfanyl]-N-[(Z)-[4-(thietan-3-yloxy)phenyl]methylideneamino]acetamide
Formula:C19H19N2O2BrS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(2-bromophenyl)methylsulfanyl]-N-[(Z)-[4-(thietan-3-yloxy)phenyl]methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-[(2-bromophenyl)methylsulfanyl]-N-[(Z)-[4-(thietan-3-yloxy)phenyl]methylideneamino]acetamide |
| MolecularFormula | C19H19N2O2BrS2 |
| Smiles | O=C(CSCc(cccc1)c1Br)N/N=C\c(cc1)ccc1OC1CSC1 |
| InChI | InChI=1S/C19H19BrN2O2S2/c20-18-4-2-1-3-15(18)10-25-13-19(23)22-21-9-14-5-7-16(8-6-14)24-17-11-26-12-17/h1-9,17H,10-13H2,(H,22,23) |
| InChIK | ODSNIPSEPQSTJQ-UHFFFAOYSA-N |
| TotalMolweight | 451.408 |
| Molweight | 451.408 |
| MonoisotopicMass | 450.007129 |
| CLogP | 4.161 |
| CLogS | -6.19 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 304.64 |
| Relative PSA | 0.26585 |
| PolarSurfaceArea | 101.29 |
| Druglikeness | 3.0558 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.73077 |
| 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 | 3 |
| StereoCon |
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1 - 2-[(2-bromophenyl)methylsulfanyl]-N-[(Z)-[4-(thietan-3-yloxy)phenyl]methylideneamino]acetamide | 2 - 2-[(2-bromophenyl)methylsulfanyl]-N-[(Z)-[4-(thietan-3-yloxy)phenyl]methylideneamino]acetamide
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