 Home > Encyclopedia > 2-chloro-N-(2,5-dimethoxyphenyl)-5,5-dioxo-8,9,10,11-tetrahydro-7H-azepino[2,1-c][1,2,4]benzothiadiazine-3-carboxamide

2-chloro-N-(2,5-dimethoxyphenyl)-5,5-dioxo-8,9,10,11-tetrahydro-7H-azepino[2,1-c][1,2,4]benzothiadiazine-3-carboxamide

2-chloro-N-(2,5-dimethoxyphenyl)-5,5-dioxo-8,9,10,11-tetrahydro-7H-azepino[2,1-c][1,2,4]benzothiadiazine-3-carboxamide structure

CAS No:
565169-27-9
Formula:
C21H22ClN3O5S
Chemical Name:
2-chloro-N-(2,5-dimethoxyphenyl)-5,5-dioxo-8,9,10,11-tetrahydro-7H-azepino[2,1-c][1,2,4]benzothiadiazine-3-carboxamide
Synonyms:
MLS002246046;CHEMBL1732587;HMS3089L22;ZINC3306699;AKOS034147837;MCULE-8173205941;SMR001309671;Z30942536;4-chloro-N-(2,5-dimethoxyphenyl)-8,8-dioxo-8lambda6-thia-1,9-diazatricyclo[8.5.0.0^{2,7}]pentadeca-2,4,6,9-tetraene-5-carboxamide;565169-27-9

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2-chloro-N-(2,5-dimethoxyphenyl)-5,5-dioxo-8,9,10,11-tetrahydro-7H-azepino[2,1-c][1,2,4]benzothiadiazine-3-carboxamide Basic Attributes

Molecular Weight：

463.9 g/mol

Exact Mass：

463.0968697 g/mol

Characteristics

PSA：

106 Å²

Water Solubility：

3.7 [ug/mL]

Computed Properties

Molecular Weight:463.9
XLogP3:2.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:463.0968697
Monoisotopic Mass:463.0968697
Topological Polar Surface Area:106
Heavy Atom Count:31
Complexity:801
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-chloro-N-(2,5-dimethoxyphenyl)-5,5-dioxo-8,9,10,11-tetrahydro-7H-azepino[2,1-c][1,2,4]benzothiadiazine-3-carboxamide

Basic Attributes
Characteristics
Computed Properties

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