2-pyrimidin-2-ylsulfanyl-N-[(Z)-[3-(thietan-3-yloxy)phenyl]methylideneamino]acetamide
Formula:C16H16N4O2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-pyrimidin-2-ylsulfanyl-N-[(Z)-[3-(thietan-3-yloxy)phenyl]methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-pyrimidin-2-ylsulfanyl-N-[(Z)-[3-(thietan-3-yloxy)phenyl]methylideneamino]acetamide |
| MolecularFormula | C16H16N4O2S2 |
| Smiles | O=C(CSc1ncccn1)N/N=C\c1cccc(OC2CSC2)c1 |
| InChI | InChI=1S/C16H16N4O2S2/c21-15(11-24-16-17-5-2-6-18-16)20-19-8-12-3-1-4-13(7-12)22-14-9-23-10-14/h1-8,14H,9-11H2,(H,20,21) |
| InChIK | LWNDBXQWUNQZME-UHFFFAOYSA-N |
| TotalMolweight | 360.461 |
| Molweight | 360.461 |
| MonoisotopicMass | 360.071466 |
| CLogP | 2.1379 |
| CLogS | -3.877 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 269.77 |
| Relative PSA | 0.38155 |
| PolarSurfaceArea | 127.07 |
| Druglikeness | 4.9394 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.70833 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 3 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 2-pyrimidin-2-ylsulfanyl-N-[(Z)-[3-(thietan-3-yloxy)phenyl]methylideneamino]acetamide | 2 - 2-pyrimidin-2-ylsulfanyl-N-[(Z)-[3-(thietan-3-yloxy)phenyl]methylideneamino]acetamide
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