ethyl 2-ethyl-3-[2'-(1-trityl-1H-tetrazol-5-yl)biphenyl-4-yl]methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylate

HCID 19932986

Grundinformationen

Standard-SMILES
CCOC(=O)C1NCCc2nc(CC)n(Cc3ccc(-c4ccccc4-c4nnnn4C(c4ccccc4)(c4ccccc4)c4ccccc4)cc3)c21
InChIKey
PKUCZPWBGROVIH-UHFFFAOYSA-N
Summenformel
C44H41N7O2
Durchschnittliche Molmasse
699,8 g/mol

Namen und Bezeichner

Bevorzugter Name
ethyl 2-ethyl-3-[2'-(1-trityl-1H-tetrazol-5-yl)biphenyl-4-yl]methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylate
IUPAC
ethyl 2-ethyl-3-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylate

Namen und Synonyme

SCHEMBL9043789PKUCZPWBGROVIH-UHFFFAOYSA-Nethyl 2-ethyl-3-[2'-(1 -trityl-1H-tetrazol-5-yl)biphenyl-4-yl]methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylateethyl 2-ethyl-3-[2'-(1-trityl- 1H-tetrazol-5-yl)biphenyl-4-yl]methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylateethyl 2-ethyl-3-[2'-(1-trityl-1H-tetrazol-5-yl)biphenyl-4-yl]methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylateEthyl 2-ethyl-3-{2'-(1-trityl-1H-tetrazol-5-yl)biphenyl-4-yl}methyl-4,5,6,7-tetrahydroimidazo[4,5-c]-pyridine-4-carboxylate

Datenbank-Bezeichner

PubChem CID
19932986

Eigenschaften

Berechnete Struktureigenschaften

XLogP
8,1
Polarare Oberfläche (TPSA)
99,8 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
7
Frei drehbare Bindungen
12
Schwere Atome
53

Zugehörige Reaktionen

8

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