(E)-3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Formula:C27H16N4Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile is not a drug-like molecule.
| MolName | (E)-3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile |
| MolecularFormula | C27H16N4Cl2S |
| Smiles | N#C/C(/c1nc(-c(cc2)ccc2Cl)cs1)=C\c1cn(-c2ccccc2)nc1-c(cc1)ccc1Cl |
| InChI | InChI=1S/C27H16Cl2N4S/c28-22-10-6-18(7-11-22)25-17-34-27(31-25)20(15-30)14-21-16-33(24-4-2-1-3-5-24)32-26(21)19-8-12-23(29)13-9-19/h1-14,16-17H |
| InChIK | JVRNOTYRANUVHY-UHFFFAOYSA-N |
| TotalMolweight | 499.424 |
| Molweight | 499.424 |
| MonoisotopicMass | 498.04727 |
| CLogP | 6.0439 |
| CLogS | -7.422 |
| H Acceptors | 4 |
| TotalSurfaceArea | 372.22 |
| Relative PSA | 0.16853 |
| PolarSurfaceArea | 82.74 |
| Druglikeness | 0.54765 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 28 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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1 - (E)-3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile | 2 - (E)-3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
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