 Home > Encyclopedia > 1-[(3S)-6-bromo-5-(2-chlorophenyl)-1,3-dimethyl-2-oxo-3H-1,4-benzodiazepin-7-yl]-3-(1,3-dihydroxy-2-methylpropan-2-yl)urea

1-[(3S)-6-bromo-5-(2-chlorophenyl)-1,3-dimethyl-2-oxo-3H-1,4-benzodiazepin-7-yl]-3-(1,3-dihydroxy-2-methylpropan-2-yl)urea

1-[(3S)-6-bromo-5-(2-chlorophenyl)-1,3-dimethyl-2-oxo-3H-1,4-benzodiazepin-7-yl]-3-(1,3-dihydroxy-2-methylpropan-2-yl)urea structure

CAS No:
87646-83-1
Formula:
C22H24BrClN4O4
Chemical Name:
1-[(3S)-6-bromo-5-(2-chlorophenyl)-1,3-dimethyl-2-oxo-3H-1,4-benzodiazepin-7-yl]-3-(1,3-dihydroxy-2-methylpropan-2-yl)urea
Synonyms:
Lodazecarum [Latin]; Urea,N-(6-bromo-5-(2-chlorophenyl)-2,3-dihydro-1,3-dimethyl-2-oxo-1H-1,4-benzodiazepin-7-yl)-N'-(2-hydroxy-1-(hydroxymethyl)-1-methylethyl)-,(S); Ro 16-0521; Lodazecar; 1-(1,1-Bis(hydroxymethyl)ethyl)-3-((S)-6-bromo-5-(o-chlorophenyl)-2,3-dihydro-1,3-dimethyl-2-oxo-1H-1,4-benzodiazepin-7-yl)urea; Lodazecar [INN]; Lodazecarum;Expand

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1-[(3S)-6-bromo-5-(2-chlorophenyl)-1,3-dimethyl-2-oxo-3H-1,4-benzodiazepin-7-yl]-3-(1,3-dihydroxy-2-methylpropan-2-yl)urea Basic Attributes

Molecular Weight：

523.80700

Exact Mass：

522.06695 g/mol

UNII：

T4D9016A00

DSSTox ID：

DTXSID80236542

Characteristics

PSA：

114.26000

XLogP3：

3.13410

Density：

1.54g/cm3

Boiling Point：

728.1ºC

Flash Point：

394.2ºC

Refractive Index：

1.657

Drug Information

MeSH Entry Terms：

1-(6-bromo-5-(o-chlorophenyl)-2,3-dihydro-1,3-dimethyl-2-oxo-1H-1,4-benzodiazepin-7-yl)-3-(1,1-bis(hydroxymethyl)ethyl)urea

Computed Properties

Molecular Weight:523.8
XLogP3:1.4
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:522.06695
Monoisotopic Mass:522.06695
Topological Polar Surface Area:114
Heavy Atom Count:32
Complexity:735
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-[(3S)-6-bromo-5-(2-chlorophenyl)-1,3-dimethyl-2-oxo-3H-1,4-benzodiazepin-7-yl]-3-(1,3-dihydroxy-2-methylpropan-2-yl)urea

Basic Attributes
Characteristics
Drug Information
Computed Properties

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