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2-(Cyclohexanecarboxamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
WAY-115880 · 2-cyclohexaneamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide · 2-(Cyclohexanecarboxamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide · 2-(cyclohexanecarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide · 2-[(cyclohexylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide · Benzo[b]thiophene-3-carboxamide, 2-[(cyclohexylcarbonyl)amino]-4,5,6,7-tetrahydro-
![Molekülstruktur von 2-(Cyclohexanecarboxamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide](/img/chemical/178618921.png)
Identifikatoren & physikalische Daten
| CAS No. | 142995-02-6 |
|---|---|
| Summenformel | C16H22N2O2S |
| Durchschnittliche Molmasse | 306,4 g/mol |
| Monoisotopische Masse | 306,14019912 g/mol |
| SMILES | NC(=O)c1c(NC(=O)C2CCCCC2)sc2c1CCCC2 |
| InChIKey | IZMYWEXQNFYSRZ-UHFFFAOYSA-N |
| PubChem CID | 675676 |
| ChEMBL | CHEMBL209562 |
Chemische & physikalische Eigenschaften
| XLogP | 3,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 100 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 21 |
| Formalladung | 0 |
| Komplexität | 409 |
| Siedepunkt | 497.3±45.0 °C(Predicted) |
| Dichte | 1.276±0.06 g/cm3(Predicted) |
| pKa (Säurekonstante) | 14.02±0.20(Predicted) |