(E)-2-cyano-N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-3-naphthalen-1-ylprop-2-enamide
Formula:C24H15N3OCl2S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(E)-2-cyano-N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-3-naphthalen-1-ylprop-2-enamide is not a drug-like molecule.
| MolName | (E)-2-cyano-N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-3-naphthalen-1-ylprop-2-enamide |
| MolecularFormula | C24H15N3OCl2S |
| Smiles | N#C/C(/C(Nc1ncc(Cc(ccc(Cl)c2)c2Cl)s1)=O)=C\c1cccc2ccccc12 |
| InChI | InChI=1S/C24H15Cl2N3OS/c25-19-9-8-17(22(26)12-19)11-20-14-28-24(31-20)29-23(30)18(13-27)10-16-6-3-5-15-4-1-2-7-21(15)16/h1-10,12,14H,11H2,(H,28,29,30) |
| InChIK | ULWRAENVEHSPLV-UHFFFAOYSA-N |
| TotalMolweight | 464.375 |
| Molweight | 464.375 |
| MonoisotopicMass | 463.031286 |
| CLogP | 6.9181 |
| CLogS | -8.402 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 342.31 |
| Relative PSA | 0.20271 |
| PolarSurfaceArea | 94.02 |
| Druglikeness | -0.36239 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB; limit! thiazol-2-ylamine |
| Shape Index | 0.58065 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| 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)-2-cyano-N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-3-naphthalen-1-ylprop-2-enamide | 2 - (E)-2-cyano-N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-3-naphthalen-1-ylprop-2-enamide
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