5-methoxy-4-(4-methoxyphenyl)sulfanyl-2-methylsulfanylpyrimidine
Formula:C13H14N2O2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-methoxy-4-(4-methoxyphenyl)sulfanyl-2-methylsulfanylpyrimidine is a drug-like molecule.
| MolName | 5-methoxy-4-(4-methoxyphenyl)sulfanyl-2-methylsulfanylpyrimidine |
| MolecularFormula | C13H14N2O2S2 |
| Smiles | COc(cc1)ccc1Sc1nc(SC)ncc1OC |
| InChI | InChI=1S/C13H14N2O2S2/c1-16-9-4-6-10(7-5-9)19-12-11(17-2)8-14-13(15-12)18-3/h4-8H,1-3H3 |
| InChIK | NVRPTWAHLQYRKQ-UHFFFAOYSA-N |
| TotalMolweight | 294.398 |
| Molweight | 294.398 |
| MonoisotopicMass | 294.049668 |
| CLogP | 2.5942 |
| CLogS | -2.814 |
| H Acceptors | 4 |
| TotalSurfaceArea | 222.3 |
| Relative PSA | 0.34602 |
| PolarSurfaceArea | 94.84 |
| Druglikeness | -0.86623 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 5-methoxy-4-(4-methoxyphenyl)sulfanyl-2-methylsulfanylpyrimidine | 2 - 5-methoxy-4-(4-methoxyphenyl)sulfanyl-2-methylsulfanylpyrimidine
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