7-Bromo-3-methyl-5-phenyl-1,3-dihydro-benzo[e][1,4]diazepin-2-one

HCID 625577

Basic information

Standard SMILES
CC1N=C(c2ccccc2)c2cc(Br)ccc2NC1=O
InChIKey
GAONFNHSQRTFJA-UHFFFAOYSA-N
Molecular formula
C16H13BrN2O
Average molar mass
329.19 g/mol

Names & identifiers

Preferred name
7-Bromo-3-methyl-5-phenyl-1,3-dihydro-benzo[e][1,4]diazepin-2-one
IUPAC
7-bromo-3-methyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one

Names & synonyms

7-Bromo-3-methyl-5-phenyl-1,3-dihydro-benzo[e][1,4]diazepin-2-oneChemDiv3_012786MLS001200954SCHEMBL3128620CHEMBL1900186HMS1509F04HMS2853B24AKOS002139322SMR000564341SR-01000143912SR-01000143912-1BRD-A64266428-001-01-9
Show more names
7-Bromo-3-methyl-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one7-Bromo-3-methyl-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one #

Database identifiers

PubChem CID
625577
ChEMBL
CHEMBL1900186

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
41.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
20

Experimental & physicochemical properties

Solubility>49.4 [ug/mL] (The mean of the results at pH 7.4)

Related reactions

7 records

Compound notes

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