N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-pyrimidin-2-ylsulfanylacetamide
Formula:C20H17N4O2ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-pyrimidin-2-ylsulfanylacetamide is a drug-like molecule.
| MolName | N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-pyrimidin-2-ylsulfanylacetamide |
| MolecularFormula | C20H17N4O2ClS |
| Smiles | O=C(CSc1ncccn1)N/N=C\c(cc1)ccc1OCc(cc1)ccc1Cl |
| InChI | InChI=1S/C20H17ClN4O2S/c21-17-6-2-16(3-7-17)13-27-18-8-4-15(5-9-18)12-24-25-19(26)14-28-20-22-10-1-11-23-20/h1-12H,13-14H2,(H,25,26) |
| InChIK | KAVRCORKNBZDJN-UHFFFAOYSA-N |
| TotalMolweight | 412.9 |
| Molweight | 412.9 |
| MonoisotopicMass | 412.076073 |
| CLogP | 4.0474 |
| CLogS | -5.105 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 314.7 |
| Relative PSA | 0.2715 |
| PolarSurfaceArea | 101.77 |
| Druglikeness | 4.4844 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-pyrimidin-2-ylsulfanylacetamide | 2 - N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-pyrimidin-2-ylsulfanylacetamide
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