(E)-3-(2-chlorophenyl)-N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]prop-2-enamide
Formula:C19H13N2OCl3S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(E)-3-(2-chlorophenyl)-N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]prop-2-enamide is not a drug-like molecule.
| MolName | (E)-3-(2-chlorophenyl)-N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]prop-2-enamide |
| MolecularFormula | C19H13N2OCl3S |
| Smiles | O=C(/C=C/c(cccc1)c1Cl)Nc1ncc(Cc2cccc(Cl)c2Cl)s1 |
| InChI | InChI=1S/C19H13Cl3N2OS/c20-15-6-2-1-4-12(15)8-9-17(25)24-19-23-11-14(26-19)10-13-5-3-7-16(21)18(13)22/h1-9,11H,10H2,(H,23,24,25) |
| InChIK | QFAZIUZNBQCUPZ-UHFFFAOYSA-N |
| TotalMolweight | 423.75 |
| Molweight | 423.75 |
| MonoisotopicMass | 421.981414 |
| CLogP | 6.4777 |
| CLogS | -7.26 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 303.21 |
| Relative PSA | 0.18413 |
| PolarSurfaceArea | 70.23 |
| Druglikeness | 1.2937 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! thiazol-2-ylamine |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| 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-(2-chlorophenyl)-N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]prop-2-enamide | 2 - (E)-3-(2-chlorophenyl)-N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]prop-2-enamide
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