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7-(1,2-Dimethylheptyl)-2,2-dimethyl-4-(4-pyridinyl)-2H-1-benzopyran-5-ol

7-(1,2-Dimethylheptyl)-2,2-dimethyl-4-(4-pyridinyl)-2H-1-benzopyran-5-ol structure

CAS No:
16985-03-8
Formula:
C25H33NO2
Chemical Name:
7-(1,2-Dimethylheptyl)-2,2-dimethyl-4-(4-pyridinyl)-2H-1-benzopyran-5-ol
Synonyms:
2H-1-Benzopyran-5-ol,7-(1,2-dimethylheptyl)-2,2-dimethyl-4-(4-pyridinyl)-;2H-1-Benzopyran-5-ol,7-(1,2-dimethylheptyl)-2,2-dimethyl-4-(4-pyridyl)-;7-(1,2-Dimethylheptyl)-2,2-dimethyl-4-(4-pyridinyl)-2H-1-benzopyran-5-ol;BRL 4664;Nonabine

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7-(1,2-Dimethylheptyl)-2,2-dimethyl-4-(4-pyridinyl)-2H-1-benzopyran-5-ol Basic Attributes

Molecular Weight：

379.53500

Exact Mass：

379.54

UNII：

77DUK856J7

HScode：

2934999090

Characteristics

PSA：

42.35000

XLogP3：

6.70980

Density：

1.047g/cm3

Melting Point：

85-90 °C

Boiling Point：

504.6ºC at 760mmHg

Flash Point：

259ºC

Refractive Index：

1.549

Vapor Pressure：

8.33E-11mmHg at 25°C

Drug Information

MeSH Entry Terms：

7-(1,2-dimethylheptyl)-2,2-dimethyl-4-(4-pyridinyl)-2H-1-benzopyran-5-ol

Computed Properties

Molecular Weight:379.5
XLogP3:6.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:7
Exact Mass:379.251129295
Monoisotopic Mass:379.251129295
Topological Polar Surface Area:42.4
Heavy Atom Count:28
Complexity:523
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 7-(1,2-Dimethylheptyl)-2,2-dimethyl-4-(4-pyridinyl)-2H-1-benzopyran-5-ol

Basic Attributes
Characteristics
Drug Information
Computed Properties

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