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
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
- Formalladung
- 0
- Komplexität
- 1.080
Zugehörige Reaktionen
7
Notizen zur Verbindung
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