(S)-5-(9-[(3,5-Bis-trifluoromethyl-benzyl)-(2-methyl-2H-tetrazol-5-yl)-amino]-1,3,6,7,8,9-hexahydro-2-oxa-5-aza-cyclohepta[f]inden-5-yl)-3,3-dimethyl-pentanoic acid methyl ester
Grundinformationen
- Standard-SMILES
COC(=O)CC(C)(C)CCN1CCC[C@H](N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2nnn(C)n2)c2cc3c(cc21)COC3- InChIKey
IIORZAPHOZZRHG-VWLOTQADSA-N- Summenformel
- C31H36F6N6O3
- Durchschnittliche Molmasse
- 654,6 g/mol
Namen und Bezeichner
- Bevorzugter Name
- (S)-5-(9-[(3,5-Bis-trifluoromethyl-benzyl)-(2-methyl-2H-tetrazol-5-yl)-amino]-1,3,6,7,8,9-hexahydro-2-oxa-5-aza-cyclohepta[f]inden-5-yl)-3,3-dimethyl-pentanoic acid methyl ester
- IUPAC
- methyl 5-[(5S)-5-[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]-2,3,4,5,7,9-hexahydrofuro[3,4-h][1]benzazepin-1-yl]-3,3-dimethylpentanoate
Namen und Synonyme
(S)-5-(9-[(3,5-Bis-trifluoromethyl-benzyl)-(2-methyl-2H-tetrazol-5-yl)-amino]-1,3,6,7,8,9-hexahydro-2-oxa-5-aza-cyclohepta[f]inden-5-yl)-3,3-dimethyl-pentanoic acid methyl ester(S)-5-{9-[(3,5-bis-trifluoromethyl-benzyl)-(2-methyl-2H-tetrazol-5-yl)-amino)-1,3,6,7,8,9-hexahydro-2-oxa-5-aza-cyclohepta[f]inden-5-yl)-3,3-dimethyl-pentanoic acid methyl ester(S)-5-{9-[(3,5-Bis-trifluoromethyl-benzyl)-(2-methyl-2H-tetrazol-5-yl)-amino]-1,3,6,7,8,9-hexahydro-2-oxa-5-aza-cyclohepta[f]inden-5-yl}-3,3-dimethyl-pentanoic acid methyl esterSCHEMBL2474200(S)-5-(9-[(3,5-Bis-trifluoromethyl-benzyl)-(2-methyl-2H-tetrazol-5-yl)-amino]-1,3,6,7,8,9-hexahydro-2-oxa-5-aza-cyclohepta[f]inden-5-yl) -3,3-dimethyl-pentanoic acid methyl ester
Datenbank-Bezeichner
- PubChem CID
- 59432400
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 6,6
- Polarare Oberfläche (TPSA)
- 85,6 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 14
- Frei drehbare Bindungen
- 10
- Schwere Atome
- 46
- Formalladung
- 0
- Komplexität
- 1.010
Zugehörige Reaktionen
2
Notizen zur Verbindung
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