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7-Chloro-5-(2-fluorophenyl)-1,3-dihydro-1-(2-isothiocyanatoethyl)-2H-1,4-benzodiazepin-2-one

7-Chloro-5-(2-fluorophenyl)-1,3-dihydro-1-(2-isothiocyanatoethyl)-2H-1,4-benzodiazepin-2-one structure

CAS No:
71735-92-7
Formula:
C18H13ClFN3OS
Chemical Name:
7-Chloro-5-(2-fluorophenyl)-1,3-dihydro-1-(2-isothiocyanatoethyl)-2H-1,4-benzodiazepin-2-one
Synonyms:
2H-1,4-Benzodiazepin-2-one,7-chloro-5-(2-fluorophenyl)-1,3-dihydro-1-(2-isothiocyanatoethyl)-;7-Chloro-5-(2-fluorophenyl)-1,3-dihydro-1-(2-isothiocyanatoethyl)-2H-1,4-benzodiazepin-2-one;Irazepine

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7-Chloro-5-(2-fluorophenyl)-1,3-dihydro-1-(2-isothiocyanatoethyl)-2H-1,4-benzodiazepin-2-one Basic Attributes

Molecular Weight：

373.8 g/mol

Exact Mass：

373.83

Characteristics

PSA：

77.1 Å²

Drug Information

MeSH Entry Terms：

1-(2-isothiocyantoethyl)-7-chloro-1,3-dihydro-5-(2-fluorophenyl)-2H-1,4-benzodiazepine-2-one

Computed Properties

Molecular Weight:373.8
XLogP3:3.6
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:373.0451891
Monoisotopic Mass:373.0451891
Topological Polar Surface Area:77.1
Heavy Atom Count:25
Complexity:581
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 7-Chloro-5-(2-fluorophenyl)-1,3-dihydro-1-(2-isothiocyanatoethyl)-2H-1,4-benzodiazepin-2-one

Basic Attributes
Characteristics
Drug Information
Computed Properties

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