N-[3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]acetamide
Formula:C24H27N3OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]acetamide is not a drug-like molecule.
| MolName | N-[3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]acetamide |
| MolecularFormula | C24H27N3OS |
| Smiles | O=C(C[C@H]1[C@H](CC2)C[C@@H]2C1)Nc(sc1c2CCCC1)c2-c1nc(cccc2)c2[nH]1 |
| InChI | InChI=1S/C24H27N3OS/c28-21(13-16-12-14-9-10-15(16)11-14)27-24-22(17-5-1-4-8-20(17)29-24)23-25-18-6-2-3-7-19(18)26-23/h2-3,6-7,14-16H,1,4-5,8-13H2,(H,25,26)(H,27,28)/t14-,15-,16+/m1/s1 |
| InChIK | HHCUODSRPCZXCJ-OAGGEKHMSA-N |
| TotalMolweight | 405.564 |
| Molweight | 405.564 |
| MonoisotopicMass | 405.187482 |
| CLogP | 5.5208 |
| CLogS | -7.298 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 301.94 |
| Relative PSA | 0.23124 |
| PolarSurfaceArea | 86.02 |
| Druglikeness | -1.5739 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48276 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 3 |
| Rotatable Bond | 4 |
| Rings Closures | 6 |
| Small Rings | 7 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 14 |
| Sp3Atoms | 12 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - N-[3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]acetamide | 2 - N-[3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]acetamide
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