(E)-N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-naphthalen-1-ylprop-2-enamide
Formula:C23H17N2OClS
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(E)-N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-naphthalen-1-ylprop-2-enamide is not a drug-like molecule.
| MolName | (E)-N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-naphthalen-1-ylprop-2-enamide |
| MolecularFormula | C23H17N2OClS |
| Smiles | O=C(/C=C/c1cccc2ccccc12)Nc1ncc(Cc(cc2)ccc2Cl)s1 |
| InChI | InChI=1S/C23H17ClN2OS/c24-19-11-8-16(9-12-19)14-20-15-25-23(28-20)26-22(27)13-10-18-6-3-5-17-4-1-2-7-21(17)18/h1-13,15H,14H2,(H,25,26,27) |
| InChIK | XXXCMCGUUDXZPJ-UHFFFAOYSA-N |
| TotalMolweight | 404.92 |
| Molweight | 404.92 |
| MonoisotopicMass | 404.07501 |
| CLogP | 6.4601 |
| CLogS | -7.394 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 306.97 |
| Relative PSA | 0.18187 |
| PolarSurfaceArea | 70.23 |
| Druglikeness | 1.2937 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! thiazol-2-ylamine |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (E)-N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-naphthalen-1-ylprop-2-enamide | 2 - (E)-N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-naphthalen-1-ylprop-2-enamide
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