isopropyl 3-{2-chloro-4-fluoro-5-[5,6,8,8a-tetrahydro-1,3-dioxo-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 67713947

Grundinformationen

Standard-SMILES
CC(C)OC(=O)Cn1c(=O)n(C)c(=O)n(-c2cc(N3C(=O)C4CSCCN4C3=O)c(F)cc2Cl)c1=O
InChIKey
QSGMUURAWLBFTL-UHFFFAOYSA-N
Summenformel
C21H21ClFN5O7S
Durchschnittliche Molmasse
541,9 g/mol
Monoisotopische Masse
541,0834251

Namen und Bezeichner

Bevorzugter Name
isopropyl 3-{2-chloro-4-fluoro-5-[5,6,8,8a-tetrahydro-1,3-dioxo-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-5-(1,3-dioxo-5,6,8,8a-tetrahydroimidazo[5,1-c][1,4]thiazin-2-yl)-4-fluorophenyl]-5-methyl-2,4,6-trioxo-1,3,5-triazinan-1-yl]acetate

Namen und Synonyme

SCHEMBL8873454QSGMUURAWLBFTL-UHFFFAOYSA-Nisopropyl 3-{2-chloro-4-fluoro-5-[5,6,8,8a-tetrahydro-1,3-dioxo-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-[5,6,8,8a-tetrahydro-1,3-dioxo-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-[5,6,8,8a-tetrahydro-1,3-dioxo-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-[5,6,8,8a-tetrahydro-1,3-dioxo-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
67713947

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1,8
Polarare Oberfläche (TPSA)
153 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
9
Frei drehbare Bindungen
6
Schwere Atome
36

Zugehörige Reaktionen

7

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