2-[(2,6-dichlorophenyl)methylsulfanyl]-4-[(E)-2-thiophen-2-ylethenyl]pyrimidine
Formula:C17H12N2Cl2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(2,6-dichlorophenyl)methylsulfanyl]-4-[(E)-2-thiophen-2-ylethenyl]pyrimidine is not a drug-like molecule.
| MolName | 2-[(2,6-dichlorophenyl)methylsulfanyl]-4-[(E)-2-thiophen-2-ylethenyl]pyrimidine |
| MolecularFormula | C17H12N2Cl2S2 |
| Smiles | Clc1cccc(Cl)c1CSc1nc(/C=C/c2cccs2)ccn1 |
| InChI | InChI=1S/C17H12Cl2N2S2/c18-15-4-1-5-16(19)14(15)11-23-17-20-9-8-12(21-17)6-7-13-3-2-10-22-13/h1-10H,11H2 |
| InChIK | DCFNXMIFSBPKSZ-UHFFFAOYSA-N |
| TotalMolweight | 379.334 |
| Molweight | 379.334 |
| MonoisotopicMass | 377.981892 |
| CLogP | 5.6395 |
| CLogS | -6.452 |
| H Acceptors | 2 |
| TotalSurfaceArea | 274.83 |
| Relative PSA | 0.21755 |
| PolarSurfaceArea | 79.32 |
| Druglikeness | 1.6632 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 2-[(2,6-dichlorophenyl)methylsulfanyl]-4-[(E)-2-thiophen-2-ylethenyl]pyrimidine | 2 - 2-[(2,6-dichlorophenyl)methylsulfanyl]-4-[(E)-2-thiophen-2-ylethenyl]pyrimidine
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