N-[(Z)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-pyridin-2-ylsulfanylacetamide
Formula:C21H18N3O2BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-pyridin-2-ylsulfanylacetamide is a drug-like molecule.
| MolName | N-[(Z)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-pyridin-2-ylsulfanylacetamide |
| MolecularFormula | C21H18N3O2BrS |
| Smiles | O=C(CSc1ncccc1)N/N=C\c(cccc1)c1OCc(cc1)ccc1Br |
| InChI | InChI=1S/C21H18BrN3O2S/c22-18-10-8-16(9-11-18)14-27-19-6-2-1-5-17(19)13-24-25-20(26)15-28-21-7-3-4-12-23-21/h1-13H,14-15H2,(H,25,26) |
| InChIK | LHJNPGSVMSNQMG-UHFFFAOYSA-N |
| TotalMolweight | 456.363 |
| Molweight | 456.363 |
| MonoisotopicMass | 455.030308 |
| CLogP | 4.5842 |
| CLogS | -5.406 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 319.15 |
| Relative PSA | 0.23334 |
| PolarSurfaceArea | 88.88 |
| Druglikeness | 2.6551 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.67857 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-pyridin-2-ylsulfanylacetamide | 2 - N-[(Z)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-pyridin-2-ylsulfanylacetamide
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