2-[(2,6-dichlorophenyl)methylsulfanyl]-4-[(E)-2-phenylethenyl]pyrimidine
Formula:C19H14N2Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(2,6-dichlorophenyl)methylsulfanyl]-4-[(E)-2-phenylethenyl]pyrimidine is not a drug-like molecule.
| MolName | 2-[(2,6-dichlorophenyl)methylsulfanyl]-4-[(E)-2-phenylethenyl]pyrimidine |
| MolecularFormula | C19H14N2Cl2S |
| Smiles | Clc1cccc(Cl)c1CSc1nc(/C=C/c2ccccc2)ccn1 |
| InChI | InChI=1S/C19H14Cl2N2S/c20-17-7-4-8-18(21)16(17)13-24-19-22-12-11-15(23-19)10-9-14-5-2-1-3-6-14/h1-12H,13H2 |
| InChIK | HBDMKQRHRLSPJS-UHFFFAOYSA-N |
| TotalMolweight | 373.306 |
| Molweight | 373.306 |
| MonoisotopicMass | 372.025472 |
| CLogP | 5.7729 |
| CLogS | -6.442 |
| H Acceptors | 2 |
| TotalSurfaceArea | 278.89 |
| Relative PSA | 0.14138 |
| PolarSurfaceArea | 51.08 |
| Druglikeness | -0.4949 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 2-[(2,6-dichlorophenyl)methylsulfanyl]-4-[(E)-2-phenylethenyl]pyrimidine | 2 - 2-[(2,6-dichlorophenyl)methylsulfanyl]-4-[(E)-2-phenylethenyl]pyrimidine
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