10-(2-methyl-2'-trifluoromethyl-biphenyl-4-carbonyl)-10,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-3-carboxylic acid
Grundinformationen
- Standard-SMILES
Cc1cc(C(=O)N2Cc3ccc(C(=O)O)n3Cc3ccccc32)ccc1-c1ccccc1C(F)(F)F- InChIKey
KGFYJHKUAZGBQF-UHFFFAOYSA-N- Summenformel
- C28H21F3N2O3
- Durchschnittliche Molmasse
- 490,5 g/mol
Namen und Bezeichner
- Bevorzugter Name
- 10-(2-methyl-2'-trifluoromethyl-biphenyl-4-carbonyl)-10,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-3-carboxylic acid
- IUPAC
- 5-[3-methyl-4-[2-(trifluoromethyl)phenyl]benzoyl]-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxylic acid
Namen und Synonyme
10-(2-methyl-2'-trifluoromethyl-biphenyl-4-carbonyl)-10,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-3-carboxylic acidSCHEMBL578515610-[(2-Methyl-2'-trifluoromethyl-[1,1'-biphenyl]-4-yl)carbonyl]-10,11-dihydro-5H -pyrrolo[2,1-c][1,4]benzodiazepine-3-carboxylic acid10-[(2-methyl-2'-trifluoromethyl-[1,1'-biphenyl]-4-yl)carbonyl]-10,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-3-carboxylic acid10-[(2-Methyl-2'-trifluoromethyl-[1,1'-biphenyl]4-yl)carbonyl]-10,11-dihydro-5H-pyrrolo [2,1-c][1,4]benzodiazepine-3-carboxylic acid
Datenbank-Bezeichner
- PubChem CID
- 10278082
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 5,6
- Polarare Oberfläche (TPSA)
- 62,5 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 36
- Formalladung
- 0
- Komplexität
- 820
Zugehörige Reaktionen
18
Notizen zur Verbindung
Wird geladen…