2-[2-oxo-2-[(2Z)-2-[[4-(pyridin-2-ylmethoxy)phenyl]methylidene]hydrazinyl]ethyl]sulfanyl-N-phenylacetamide
Formula:C23H22N4O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[2-oxo-2-[(2Z)-2-[[4-(pyridin-2-ylmethoxy)phenyl]methylidene]hydrazinyl]ethyl]sulfanyl-N-phenylacetamide is a drug-like molecule.
| MolName | 2-[2-oxo-2-[(2Z)-2-[[4-(pyridin-2-ylmethoxy)phenyl]methylidene]hydrazinyl]ethyl]sulfanyl-N-phenylacetamide |
| MolecularFormula | C23H22N4O3S |
| Smiles | O=C(CSCC(N/N=C\c(cc1)ccc1OCc1ncccc1)=O)Nc1ccccc1 |
| InChI | InChI=1S/C23H22N4O3S/c28-22(26-19-6-2-1-3-7-19)16-31-17-23(29)27-25-14-18-9-11-21(12-10-18)30-15-20-8-4-5-13-24-20/h1-14H,15-17H2,(H,26,28)(H,27,29) |
| InChIK | LHPQMCOLFRJGBT-UHFFFAOYSA-N |
| TotalMolweight | 434.519 |
| Molweight | 434.519 |
| MonoisotopicMass | 434.141261 |
| CLogP | 3.1913 |
| CLogS | -4.702 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 343.49 |
| Relative PSA | 0.28813 |
| PolarSurfaceArea | 117.98 |
| Druglikeness | 4.8266 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.74194 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 10 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 2-[2-oxo-2-[(2Z)-2-[[4-(pyridin-2-ylmethoxy)phenyl]methylidene]hydrazinyl]ethyl]sulfanyl-N-phenylacetamide | 2 - 2-[2-oxo-2-[(2Z)-2-[[4-(pyridin-2-ylmethoxy)phenyl]methylidene]hydrazinyl]ethyl]sulfanyl-N-phenylacetamide
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