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(6aS)-2-amino-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione

(6aS)-2-amino-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione structure

CAS No:
84379-11-3
Formula:
C12H13N3O2
Chemical Name:
(6aS)-2-amino-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione
Synonyms:
NSC697766;SCHEMBL7263566;CHEMBL1981893;ZINC3597071;AKOS030222180;NSC-697766;(6aS)-2-amino-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione;NCI60_034904;(S)-7-amino-2,3-dihydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepine-5,11(10H,11aH)-dione;84379-11-3

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(6aS)-2-amino-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione Basic Attributes

Molecular Weight：

231.25 g/mol

Exact Mass：

231.100776666 g/mol

NSC Number：

697766

Characteristics

PSA：

75.4 Å²

XLogP3：

1.4826

Melting Point：

233 - 234 °C

Computed Properties

Molecular Weight:231.25
XLogP3:0.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Exact Mass:231.100776666
Monoisotopic Mass:231.100776666
Topological Polar Surface Area:75.4
Heavy Atom Count:17
Complexity:358
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Synthesis Route

50424-48-1

84379-11-3

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Guide of (6aS)-2-amino-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione

Basic Attributes
Characteristics
Computed Properties
Synthesis Route

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