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1,3-dimethyl-4-prop-2-ynyl-5H-pyrazolo[3,4-b][1,4]benzoxazepine

1,3-dimethyl-4-prop-2-ynyl-5H-pyrazolo[3,4-b][1,4]benzoxazepine structure

CAS No:
22086-98-2
Formula:
C15H15N3O
Chemical Name:
1,3-dimethyl-4-prop-2-ynyl-5H-pyrazolo[3,4-b][1,4]benzoxazepine
Synonyms:
22086-98-2;1H-Pyrazolo(3,4-b)(1,4)benzoxazepine, 4,5-dihydro-1,3-dimethyl-4-(2-propynyl)-;4,5-Dihydro-1,3-dimethyl-4-(2-propynyl)-1H-pyrazolo(3,4-b)(1,4)benzoxazepine;BRN 0544179;4,5-Dihydro-1,3-dimethyl-4-(2-propynyl)-1H-pyrazolo[3,4-b][1,4]benzoxazepine;Oprea1_213096;DTXSID50176587

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1,3-dimethyl-4-prop-2-ynyl-5H-pyrazolo[3,4-b][1,4]benzoxazepine Basic Attributes

Molecular Weight：

253.30 g/mol

Exact Mass：

253.121512110 g/mol

DSSTox ID：

DTXSID50176587

Characteristics

PSA：

30.3 Å²

Computed Properties

Molecular Weight:253.30
XLogP3:2.3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:253.121512110
Monoisotopic Mass:253.121512110
Topological Polar Surface Area:30.3
Heavy Atom Count:19
Complexity:377
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1,3-dimethyl-4-prop-2-ynyl-5H-pyrazolo[3,4-b][1,4]benzoxazepine

Basic Attributes
Characteristics
Computed Properties

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