(E)-3-(3,4-dichlorophenyl)-N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]prop-2-enamide
Formula:C19H12N2OCl4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(3,4-dichlorophenyl)-N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]prop-2-enamide is not a drug-like molecule.
| MolName | (E)-3-(3,4-dichlorophenyl)-N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]prop-2-enamide |
| MolecularFormula | C19H12N2OCl4S |
| Smiles | O=C(/C=C/c(cc1)cc(Cl)c1Cl)Nc1ncc(Cc(cc2)cc(Cl)c2Cl)s1 |
| InChI | InChI=1S/C19H12Cl4N2OS/c20-14-4-1-11(8-16(14)22)3-6-18(26)25-19-24-10-13(27-19)7-12-2-5-15(21)17(23)9-12/h1-6,8-10H,7H2,(H,24,25,26) |
| InChIK | YWULJDVQVNBYFX-UHFFFAOYSA-N |
| TotalMolweight | 458.195 |
| Molweight | 458.195 |
| MonoisotopicMass | 455.942441 |
| CLogP | 7.0837 |
| CLogS | -7.996 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 318.63 |
| Relative PSA | 0.17522 |
| PolarSurfaceArea | 70.23 |
| Druglikeness | 1.2937 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! thiazol-2-ylamine |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (E)-3-(3,4-dichlorophenyl)-N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]prop-2-enamide | 2 - (E)-3-(3,4-dichlorophenyl)-N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]prop-2-enamide
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