4-[(E)-2-(4-chlorophenyl)ethenyl]-2-[(2,6-dichlorophenyl)methylsulfanyl]pyrimidine
Formula:C19H13N2Cl3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(E)-2-(4-chlorophenyl)ethenyl]-2-[(2,6-dichlorophenyl)methylsulfanyl]pyrimidine is not a drug-like molecule.
| MolName | 4-[(E)-2-(4-chlorophenyl)ethenyl]-2-[(2,6-dichlorophenyl)methylsulfanyl]pyrimidine |
| MolecularFormula | C19H13N2Cl3S |
| Smiles | Clc1ccc(/C=C/c2ccnc(SCc(c(Cl)ccc3)c3Cl)n2)cc1 |
| InChI | InChI=1S/C19H13Cl3N2S/c20-14-7-4-13(5-8-14)6-9-15-10-11-23-19(24-15)25-12-16-17(21)2-1-3-18(16)22/h1-11H,12H2 |
| InChIK | QFLXQLNHHFSJKU-UHFFFAOYSA-N |
| TotalMolweight | 407.751 |
| Molweight | 407.751 |
| MonoisotopicMass | 405.986499 |
| CLogP | 6.3789 |
| CLogS | -7.178 |
| H Acceptors | 2 |
| TotalSurfaceArea | 294.31 |
| Relative PSA | 0.13397 |
| PolarSurfaceArea | 51.08 |
| Druglikeness | -0.4949 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| 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 - 4-[(E)-2-(4-chlorophenyl)ethenyl]-2-[(2,6-dichlorophenyl)methylsulfanyl]pyrimidine | 2 - 4-[(E)-2-(4-chlorophenyl)ethenyl]-2-[(2,6-dichlorophenyl)methylsulfanyl]pyrimidine
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