 Home > Encyclopedia > 1-[(4-bromophenyl)methyl]-3-(3-chlorophenyl)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)urea

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

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

CAS No:
6998-67-0
Formula:
C21H21BrClN5O
Chemical Name:
1-[(4-bromophenyl)methyl]-3-(3-chlorophenyl)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)urea
Synonyms:
ST50053607;6998-67-0;DTXSID20364232;ZINC1468149;AKOS002169540;N-(5H,6H,7H,8H,9H-1,2,4-triazolo[4,5-a]azaperhydroepin-3-yl)-N-[(4-bromophenyl )methyl][(3-chlorophenyl)amino]carboxamide

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

Molecular Weight：

474.8 g/mol

Exact Mass：

473.06180 g/mol

DSSTox ID：

DTXSID20364232

Characteristics

PSA：

63 Å²

Computed Properties

Molecular Weight:474.8
XLogP3:4.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:473.06180
Monoisotopic Mass:473.06180
Topological Polar Surface Area:63
Heavy Atom Count:29
Complexity:547
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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

Basic Attributes
Characteristics
Computed Properties

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