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

HCID 20076811

Grundinformationen

Standard-SMILES
CCCCc1nc2c(n1Cc1ccc(-c3ccccc3-c3nnnn3C(c3ccccc3)(c3ccccc3)c3ccccc3)cc1)C(C(=O)OC)N(C(=O)CC(=O)OCC)CC2
InChIKey
OFPVXCXWCAVAOY-UHFFFAOYSA-N
Summenformel
C50H49N7O5
Durchschnittliche Molmasse
828 g/mol

Namen und Bezeichner

Bevorzugter Name
methyl (+)-2-n-butyl-5-ethoxycarbonylacetyl-3-[2'-(1-trityl-1H-tetrazol-5-yl)biphenyl-4-yl]methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylate
IUPAC
methyl 2-butyl-5-(3-ethoxy-3-oxopropanoyl)-3-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxylate

Namen und Synonyme

methyl (+)-2-n-butyl-5-ethoxycarbonylacetyl-3-[2'-(1-trityl-1H-tetrazol-5-yl)biphenyl-4-yl]methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylatemethyl (+)-2-n-butyl-5-ethoxycarbonylacetyl-3-{2'-(1-trityl-1H-tetrazol-5-yl)biphenyl-4-yl}methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylateSCHEMBL9043688OFPVXCXWCAVAOY-UHFFFAOYSA-Nmethyl 2-n-butyl-5-ethoxycarbonylacetyl-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
20076811

Eigenschaften

Berechnete Struktureigenschaften

XLogP
9
Polarare Oberfläche (TPSA)
134 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
9
Frei drehbare Bindungen
17
Schwere Atome
62

Zugehörige Reaktionen

5

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