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3-(4-chlorophenyl)-8,9-dimethyl-2-phenyl-4,5-dihydro-[1]benzoxepino[5,4-c]pyrazole

3-(4-chlorophenyl)-8,9-dimethyl-2-phenyl-4,5-dihydro-[1]benzoxepino[5,4-c]pyrazole structure

CAS No:
124405-82-9
Formula:
C25H21ClN2O
Chemical Name:
3-(4-chlorophenyl)-8,9-dimethyl-2-phenyl-4,5-dihydro-[1]benzoxepino[5,4-c]pyrazole
Synonyms:
2H-(1)Benzoxepino(5,4-c)pyrazole, 4,5-dihydro-3-(4-chlorophenyl)-8,9-dimethyl-2-phenyl-;124405-82-9;BRN 4578521;NSC380717;4,5-Dihydro-3-(4-chlorophenyl)-8,9-dimethyl-2-phenyl-2H-(1)benzoxepino(5,4-c)pyrazole;DTXSID70154322;ZINC1591122;NSC-380717

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3-(4-chlorophenyl)-8,9-dimethyl-2-phenyl-4,5-dihydro-[1]benzoxepino[5,4-c]pyrazole Basic Attributes

Molecular Weight：

400.9 g/mol

Exact Mass：

400.1342410 g/mol

NSC Number：

380717

DSSTox ID：

DTXSID70154322

Characteristics

PSA：

27 Å²

Computed Properties

Molecular Weight:400.9
XLogP3:6.6
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:400.1342410
Monoisotopic Mass:400.1342410
Topological Polar Surface Area:27
Heavy Atom Count:29
Complexity:545
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-(4-chlorophenyl)-8,9-dimethyl-2-phenyl-4,5-dihydro-[1]benzoxepino[5,4-c]pyrazole

Basic Attributes
Characteristics
Computed Properties

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