N-(2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-2-carboxamide
Grundinformationen
- Standard-SMILES
Cc1c(NC(=O)c2cc3c(s2)CCCC3)cccc1B1OC(C)(C)C(C)(C)O1- InChIKey
QNMUPBKYOZRPBZ-UHFFFAOYSA-N- Summenformel
- C22H28BNO3S
- Durchschnittliche Molmasse
- 397,3 g/mol
Namen und Bezeichner
- Bevorzugter Name
- N-(2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-2-carboxamide
- IUPAC
- N-[2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
Namen und Synonyme
910235-71-1N-(2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-2-carboxamideSCHEMBL1068162SCHEMBL29709500QNMUPBKYOZRPBZ-UHFFFAOYSA-NDB-099586D870614,5,6,7-Tetrahydro-benzo[b]thiophene-2-carboxylic acid [2-methyl-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-amide4,5,6,7-Tetrahydro-benzo[b]thiophene-2-carboxylic acid[2-methyl-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-amide4,5,6,7-Tetrahydro-benzo[b]thiophene-2-carboxylicacid [2-methyl-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-amideBenzo[b]thiophene-2-carboxamide, 4,5,6,7-tetrahydro-N-[2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-Benzo[b]thiophene-2-carboxamide,4,5,6,7-tetrahydro-N-[2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-
Datenbank-Bezeichner
- PubChem CID
- 58729134
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 75,8 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 28
- Formalladung
- 0
- Komplexität
- 582
Zugehörige Reaktionen
10
Notizen zur Verbindung
Wird geladen…