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Home > Encyclopedia > (7S,12aR)-7-benzyl-2-methyl-5,5-dioxo-3,4,6,7,10,11,12,12a-octahydropyrrolo[1,2-e][1,2,5,8]thiatriazecine-1,8-dione

(7S,12aR)-7-benzyl-2-methyl-5,5-dioxo-3,4,6,7,10,11,12,12a-octahydropyrrolo[1,2-e][1,2,5,8]thiatriazecine-1,8-dione

(7S,12aR)-7-benzyl-2-methyl-5,5-dioxo-3,4,6,7,10,11,12,12a-octahydropyrrolo[1,2-e][1,2,5,8]thiatriazecine-1,8-dione structure

(7S,12aR)-7-benzyl-2-methyl-5,5-dioxo-3,4,6,7,10,11,12,12a-octahydropyrrolo[1,2-e][1,2,5,8]thiatriazecine-1,8-dione 

structure
  • CAS No:

    126370-66-9

  • Formula:

    C17H23N3O4S

  • Chemical Name:

    (7S,12aR)-7-benzyl-2-methyl-5,5-dioxo-3,4,6,7,10,11,12,12a-octahydropyrrolo[1,2-e][1,2,5,8]thiatriazecine-1,8-dione

(7S,12aR)-7-benzyl-2-methyl-5,5-dioxo-3,4,6,7,10,11,12,12a-octahydropyrrolo[1,2-e][1,2,5,8]thiatriazecine-1,8-dione Basic Attributes

365.44700

365.14092740 g/mol

DTXSID00155165

Characteristics

95.17000

1.26550

1.36g/cm3

615.1ºC

325.8ºC

1.619

4.59E-15mmHg at 25°C

Drug Information

cyclo(-Me-Tau-Phe-Pro-)

Computed Properties

Molecular Weight:365.4
XLogP3:0.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:365.14092740
Monoisotopic Mass:365.14092740
Topological Polar Surface Area:95.2
Heavy Atom Count:25
Complexity:610
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of (7S,12aR)-7-benzyl-2-methyl-5,5-dioxo-3,4,6,7,10,11,12,12a-octahydropyrrolo[1,2-e][1,2,5,8]thiatriazecine-1,8-dione

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