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1-(3,4-dichlorophenyl)-3-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]urea

1-(3,4-dichlorophenyl)-3-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]urea structure

CAS No:
539811-71-7
Formula:
C20H19Cl2N5O
Chemical Name:
1-(3,4-dichlorophenyl)-3-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]urea
Synonyms:
Oprea1_287664;Oprea1_500166;ZINC3193944;STL266217;AKOS016400068;MCULE-3584133720;1-(3,4-dichlorophenyl)-3-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]urea;Z44612126;3-(3,4-dichlorophenyl)-1-(4-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}phenyl)urea;539811-71-7

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1-(3,4-dichlorophenyl)-3-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]urea Basic Attributes

Molecular Weight：

416.3 g/mol

Exact Mass：

415.0966656 g/mol

Characteristics

PSA：

71.8 Å²

Computed Properties

Molecular Weight:416.3
XLogP3:4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:415.0966656
Monoisotopic Mass:415.0966656
Topological Polar Surface Area:71.8
Heavy Atom Count:28
Complexity:531
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-(3,4-dichlorophenyl)-3-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]urea

Basic Attributes
Characteristics
Computed Properties

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