(3RS)-1-(benzofuran-2-yl)methyl-2,3-dihydro-5-(2-fluorophenyl)-3-phthalimido-1H-1,4-benzodiazepin-2-one

HCID 19081303
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Basic information

Standard SMILES
O=C1C(N2C(=O)c3ccccc3C2=O)N=C(c2ccccc2F)c2ccccc2N1Cc1cc2ccccc2o1
InChIKey
HFRYVLCSOACPPT-UHFFFAOYSA-N
Molecular formula
C32H20FN3O4
Average molar mass
529.5 g/mol
Monoisotopic mass
529.14378429

Names & identifiers

Preferred name
(3RS)-1-(benzofuran-2-yl)methyl-2,3-dihydro-5-(2-fluorophenyl)-3-phthalimido-1H-1,4-benzodiazepin-2-one
IUPAC
2-[1-(1-benzofuran-2-ylmethyl)-5-(2-fluorophenyl)-2-oxo-3H-1,4-benzodiazepin-3-yl]isoindole-1,3-dione

Names & synonyms

SCHEMBL8537317HFRYVLCSOACPPT-UHFFFAOYSA-N(3RS)-1-(benzofuran-2-yl)methyl-2,3-dihydro-5-(2-fluorophenyl)-3-phthalimido-1H-1,4-benzodiazepin-2-one

Database identifiers

PubChem CID
19081303

Properties

Computed structural properties

XLogP
5.4
Topological polar surface area
83.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
4
Heavy atoms
40

Related reactions

1 records
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Compound notes

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