[(E)-2-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]-1-thiophen-2-ylethenyl] thiophene-2-carboxylate
Formula:C29H20N2O2S2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
[(E)-2-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]-1-thiophen-2-ylethenyl] thiophene-2-carboxylate is not a drug-like molecule.
| MolName | [(E)-2-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]-1-thiophen-2-ylethenyl] thiophene-2-carboxylate |
| MolecularFormula | C29H20N2O2S2 |
| Smiles | O=C(c1cccs1)O/C(/c1cccs1)=C/c1nc(cccc2)c2n1Cc1cccc2ccccc12 |
| InChI | InChI=1S/C29H20N2O2S2/c32-29(27-15-7-17-35-27)33-25(26-14-6-16-34-26)18-28-30-23-12-3-4-13-24(23)31(28)19-21-10-5-9-20-8-1-2-11-22(20)21/h1-18H,19H2 |
| InChIK | RYRUWNQXFXXMTC-UHFFFAOYSA-N |
| TotalMolweight | 492.622 |
| Molweight | 492.622 |
| MonoisotopicMass | 492.096618 |
| CLogP | 6.9969 |
| CLogS | -6.439 |
| H Acceptors | 4 |
| TotalSurfaceArea | 367.8 |
| Relative PSA | 0.22186 |
| PolarSurfaceArea | 100.6 |
| Druglikeness | 4.1853 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.42857 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 6 |
| Aromatic Atoms | 29 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - [(E)-2-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]-1-thiophen-2-ylethenyl] thiophene-2-carboxylate | 2 - [(E)-2-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]-1-thiophen-2-ylethenyl] thiophene-2-carboxylate
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