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7-chloro-5-(4-chlorophenyl)-1-(2-isothiocyanatoethyl)-3H-1,4-benzodiazepin-2-one;hydrochloride

7-chloro-5-(4-chlorophenyl)-1-(2-isothiocyanatoethyl)-3H-1,4-benzodiazepin-2-one;hydrochloride structure

CAS No:
103625-22-5
Formula:
C18H14Cl3N3OS
Chemical Name:
7-chloro-5-(4-chlorophenyl)-1-(2-isothiocyanatoethyl)-3H-1,4-benzodiazepin-2-one;hydrochloride
Synonyms:
1-(2-isothiocyanatoethyl)-7-chloro-1,3-dihydro-5-(4-chlorophenyl)-2H-1,4-benzodiazepine-2-one;AHN 086;AHN-086;AHN 086;103625-22-5;2H-1,4-Benzodiazepin-2-one, 7-chloro-5-(4-chlorophenyl)-1,3-dihydro-1-(2-isothiocyanatoethyl)-, monohydrochloride;Ahn-086;DTXSID40145964;1-(2-Isothiocyanatoethyl)-7-chloro-1,3-dihydro-5-(4-chlorophenyl)-2H-1,4-benzodiazepine-2-one HCl

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7-chloro-5-(4-chlorophenyl)-1-(2-isothiocyanatoethyl)-3H-1,4-benzodiazepin-2-one;hydrochloride Basic Attributes

Molecular Weight：

426.7 g/mol

Exact Mass：

424.992316 g/mol

DSSTox ID：

DTXSID40145964

Characteristics

PSA：

77.1 Å²

Drug Information

MeSH Entry Terms：

1-(2-isothiocyanatoethyl)-7-chloro-1,3-dihydro-5-(4-chlorophenyl)-2H-1,4-benzodiazepine-2-one

Computed Properties

Molecular Weight:426.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:424.992316
Monoisotopic Mass:424.992316
Topological Polar Surface Area:77.1
Heavy Atom Count:26
Complexity:571
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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Guide of 7-chloro-5-(4-chlorophenyl)-1-(2-isothiocyanatoethyl)-3H-1,4-benzodiazepin-2-one;hydrochloride

Basic Attributes
Characteristics
Drug Information
Computed Properties

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