 Home > Encyclopedia > (1S,9R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbothioamide

(1S,9R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbothioamide

(1S,9R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbothioamide structure

CAS No:
1212289-30-9
Formula:
C20H21N3O3S
Chemical Name:
(1S,9R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbothioamide
Synonyms:
ZINC2104023;STK687828;AKOS005600320;(5R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioamide;1212289-30-9

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(1S,9R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbothioamide Basic Attributes

Molecular Weight：

383.5 g/mol

Exact Mass：

383.13036271 g/mol

Characteristics

PSA：

86.1 Å²

Computed Properties

Molecular Weight:383.5
XLogP3:1.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:383.13036271
Monoisotopic Mass:383.13036271
Topological Polar Surface Area:86.1
Heavy Atom Count:27
Complexity:694
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (1S,9R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbothioamide

Basic Attributes
Characteristics
Computed Properties

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