N-[(E)-1-(1H-benzimidazol-2-yl)-2-thiophen-2-ylethenyl]thiophene-2-carboxamide
Formula:C18H13N3OS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-1-(1H-benzimidazol-2-yl)-2-thiophen-2-ylethenyl]thiophene-2-carboxamide is a drug-like molecule.
| MolName | N-[(E)-1-(1H-benzimidazol-2-yl)-2-thiophen-2-ylethenyl]thiophene-2-carboxamide |
| MolecularFormula | C18H13N3OS2 |
| Smiles | O=C(c1cccs1)N/C(/c1nc(cccc2)c2[nH]1)=C/c1cccs1 |
| InChI | InChI=1S/C18H13N3OS2/c22-18(16-8-4-10-24-16)21-15(11-12-5-3-9-23-12)17-19-13-6-1-2-7-14(13)20-17/h1-11H,(H,19,20)(H,21,22) |
| InChIK | LJKYYPOJNJNYKB-UHFFFAOYSA-N |
| TotalMolweight | 351.453 |
| Molweight | 351.453 |
| MonoisotopicMass | 351.050002 |
| CLogP | 3.838 |
| CLogS | -4.244 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 261.51 |
| Relative PSA | 0.34484 |
| PolarSurfaceArea | 114.26 |
| Druglikeness | 4.1146 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.45833 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 19 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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