(E)-2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(3,4-difluoroanilino)prop-2-enenitrile
Formula:C18H9N3Cl2F2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(3,4-difluoroanilino)prop-2-enenitrile is a drug-like molecule.
| MolName | (E)-2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(3,4-difluoroanilino)prop-2-enenitrile |
| MolecularFormula | C18H9N3Cl2F2S |
| Smiles | N#C/C(/c1nc(-c(cc2)cc(Cl)c2Cl)cs1)=C\Nc(cc1)cc(F)c1F |
| InChI | InChI=1S/C18H9Cl2F2N3S/c19-13-3-1-10(5-14(13)20)17-9-26-18(25-17)11(7-23)8-24-12-2-4-15(21)16(22)6-12/h1-6,8-9,24H |
| InChIK | ZUIQXPIETQEAJU-UHFFFAOYSA-N |
| TotalMolweight | 408.258 |
| Molweight | 408.258 |
| MonoisotopicMass | 406.986227 |
| CLogP | 4.4972 |
| CLogS | -6.483 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 288.9 |
| Relative PSA | 0.19505 |
| PolarSurfaceArea | 76.95 |
| Druglikeness | -2.9692 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (E)-2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(3,4-difluoroanilino)prop-2-enenitrile | 2 - (E)-2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(3,4-difluoroanilino)prop-2-enenitrile
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