(E)-3-(2,4-dichlorophenyl)-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]prop-2-enamide
Formula:C18H10N2OCl4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(2,4-dichlorophenyl)-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]prop-2-enamide is not a drug-like molecule.
| MolName | (E)-3-(2,4-dichlorophenyl)-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]prop-2-enamide |
| MolecularFormula | C18H10N2OCl4S |
| Smiles | O=C(/C=C/c(ccc(Cl)c1)c1Cl)Nc1nc(-c(cc2)cc(Cl)c2Cl)cs1 |
| InChI | InChI=1S/C18H10Cl4N2OS/c19-12-4-1-10(14(21)8-12)3-6-17(25)24-18-23-16(9-26-18)11-2-5-13(20)15(22)7-11/h1-9H,(H,23,24,25) |
| InChIK | ULJGMFBLSVPPRD-UHFFFAOYSA-N |
| TotalMolweight | 444.168 |
| Molweight | 444.168 |
| MonoisotopicMass | 441.926791 |
| CLogP | 6.9358 |
| CLogS | -7.953 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 304.87 |
| Relative PSA | 0.18313 |
| PolarSurfaceArea | 70.23 |
| Druglikeness | 1.405 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! thiazol-2-ylamine |
| Shape Index | 0.65385 |
| 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 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (E)-3-(2,4-dichlorophenyl)-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]prop-2-enamide | 2 - (E)-3-(2,4-dichlorophenyl)-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]prop-2-enamide
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