(E)-N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-3-naphthalen-1-ylprop-2-enamide
Formula:C23H16N2OCl2S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(E)-N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-3-naphthalen-1-ylprop-2-enamide is not a drug-like molecule.
| MolName | (E)-N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-3-naphthalen-1-ylprop-2-enamide |
| MolecularFormula | C23H16N2OCl2S |
| Smiles | O=C(/C=C/c1cccc2ccccc12)Nc1ncc(Cc2cccc(Cl)c2Cl)s1 |
| InChI | InChI=1S/C23H16Cl2N2OS/c24-20-10-4-8-17(22(20)25)13-18-14-26-23(29-18)27-21(28)12-11-16-7-3-6-15-5-1-2-9-19(15)16/h1-12,14H,13H2,(H,26,27,28) |
| InChIK | WNSZHQOCIVTBLM-UHFFFAOYSA-N |
| TotalMolweight | 439.365 |
| Molweight | 439.365 |
| MonoisotopicMass | 438.036037 |
| CLogP | 7.0661 |
| CLogS | -8.13 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 322.39 |
| Relative PSA | 0.17318 |
| PolarSurfaceArea | 70.23 |
| Druglikeness | 1.2937 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! thiazol-2-ylamine |
| Shape Index | 0.58621 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (E)-N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-3-naphthalen-1-ylprop-2-enamide | 2 - (E)-N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-3-naphthalen-1-ylprop-2-enamide
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