 Home > Encyclopedia > (1S,9R)-N-(1,3-benzodioxol-5-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbothioamide

(1S,9R)-N-(1,3-benzodioxol-5-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbothioamide

(1S,9R)-N-(1,3-benzodioxol-5-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbothioamide structure

CAS No:
1212066-64-2
Formula:
C19H19N3O3S
Chemical Name:
(1S,9R)-N-(1,3-benzodioxol-5-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbothioamide
Synonyms:
ZINC2157947;STK687977;AKOS005600612;ST082859;(1S,5R)-N-(1,3-benzodioxol-5-yl)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioamide;(1S,9R)-11-[(2H-benzo[3,4-d]1,3-dioxolen-5-ylamino)thioxomethyl]-7,11-diazatri cyclo[7.3.1.0<2,7>]trideca-2,4-dien-6-one;(1S,9R)-N~11~-(1,3-benzodioxol-5-yl)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-diene-11-carbothioamide;1212066-64-2

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(1S,9R)-N-(1,3-benzodioxol-5-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbothioamide Basic Attributes

Molecular Weight：

369.4 g/mol

Exact Mass：

369.11471265 g/mol

Characteristics

PSA：

86.1 Å²

Computed Properties

Molecular Weight:369.4
XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:369.11471265
Monoisotopic Mass:369.11471265
Topological Polar Surface Area:86.1
Heavy Atom Count:26
Complexity:679
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: 3-methylbutanal; butan-2-ol; water safety data sheet; bisphenol s; interstitial keratitis; acetone safety data sheet

Guide of (1S,9R)-N-(1,3-benzodioxol-5-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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