3-(Ethylamino-methylene)-7-chloro-5-(2'-chloro-phenyl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one

HCID 136353532
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Basic information

Standard SMILES
CCNC=C1N=C(c2ccccc2Cl)c2cc(Cl)ccc2NC1=O
InChIKey
LGIMOHWCRVMJAW-UHFFFAOYSA-N
Molecular formula
C18H15Cl2N3O
Average molar mass
360.2 g/mol

Names & identifiers

Preferred name
3-(Ethylamino-methylene)-7-chloro-5-(2'-chloro-phenyl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one
IUPAC
7-chloro-5-(2-chlorophenyl)-3-(ethylaminomethylidene)-1H-1,4-benzodiazepin-2-one

Names & synonyms

SCHEMBL11771354LGIMOHWCRVMJAW-UHFFFAOYSA-N3-(Ethylamino-methylene)-7-chloro-5-(2'-chloro-phenyl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one

Database identifiers

PubChem CID
136353532

Properties

Computed structural properties

XLogP
4.3
Topological polar surface area
53.5 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
24

Related reactions

1 records
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Compound notes

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