Isopropyl 3-[2-chloro-4-fluoro-5-(tetrahydro-1,3,7-trioxo-1H-imidazo [5,1-c][1,4]thiazin-2(3H)-yl) phenyl]tetrahydro-5-methyl-2,4,6-trioxo-s-triazine-1(2H)-acetate

HCID 19690723

Grundinformationen

Standard-SMILES
CC(C)OC(=O)Cn1c(=O)n(C)c(=O)n(-c2cc(N3C(=O)C4CS(=O)CCN4C3=O)c(F)cc2Cl)c1=O
InChIKey
KOFXTPAGCMTDBG-UHFFFAOYSA-N
Summenformel
C21H21ClFN5O8S
Durchschnittliche Molmasse
557,9 g/mol

Namen und Bezeichner

Bevorzugter Name
Isopropyl 3-[2-chloro-4-fluoro-5-(tetrahydro-1,3,7-trioxo-1H-imidazo [5,1-c][1,4]thiazin-2(3H)-yl) phenyl]tetrahydro-5-methyl-2,4,6-trioxo-s-triazine-1(2H)-acetate
IUPAC
propan-2-yl 2-[3-[2-chloro-4-fluoro-5-(1,3,7-trioxo-5,6,8,8a-tetrahydroimidazo[5,1-c][1,4]thiazin-2-yl)phenyl]-5-methyl-2,4,6-trioxo-1,3,5-triazinan-1-yl]acetate

Namen und Synonyme

SCHEMBL8872703KOFXTPAGCMTDBG-UHFFFAOYSA-NIsopropyl 3-[2-chloro-4-fluoro-5-(tetrahydro-1,3,7-trioxo-1H-imidazo [5,1-c][1,4]thiazin-2(3H)-yl) phenyl]tetrahydro-5-methyl-2,4,6-trioxo-s-triazine-1(2H)-acetateIsopropyl 3-[2-chloro-4-fluoro-5-(tetrahydro-1,3,7-trioxo-1H-imidazo [5,1-c][1,4]thiazin-2(3H)-yl)phenyl]tetrahydro-5-methyl-2,4,6-trioxo-s-triazine-1(2H) -acetateIsopropyl 3-[2-chloro-4-fluoro-5-(tetrahydro-1,3,7-trioxo-1H-imidazo [5,1-c][1,4]thiazin-2(3H)-yl)phenyl]tetrahydro-5-methyl-2,4,6-trioxo-s-triazine-1(2H)-acetateIsopropyl 3-[2-chloro-4-fluoro-5-(tetrahydro-1,3,7-trioxo-1H-imidazo[5,1-c][1,4]thiazin-2(3H)-yl)phenyl]tetrahydro-5-methyl-2,4,6-trioxo-s-triazine-1(2H)-acetate

Datenbank-Bezeichner

PubChem CID
19690723

Eigenschaften

Berechnete Struktureigenschaften

XLogP
0,2
Polarare Oberfläche (TPSA)
164 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
10
Frei drehbare Bindungen
6
Schwere Atome
37

Zugehörige Reaktionen

7

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