(3RS)-2,3-dihydro-5-(2-fluorophenyl)-1-(2-oxo-2H-1-benzopyran-6-yl)methyl-3-phthalimido-1H-1,4-benzodiazepin-2-one

HCID 19081262

Basic information

Standard SMILES
O=C1C(N2C(=O)c3ccccc3C2=O)N=C(c2ccccc2F)c2ccccc2N1Cc1ccc2oc(=O)ccc2c1
InChIKey
WAXOTAKQXZYIOF-UHFFFAOYSA-N
Molecular formula
C33H20FN3O5
Average molar mass
557.5 g/mol
Monoisotopic mass
557.13869891

Names & identifiers

Preferred name
(3RS)-2,3-dihydro-5-(2-fluorophenyl)-1-(2-oxo-2H-1-benzopyran-6-yl)methyl-3-phthalimido-1H-1,4-benzodiazepin-2-one
IUPAC
2-[5-(2-fluorophenyl)-2-oxo-1-[(2-oxochromen-6-yl)methyl]-3H-1,4-benzodiazepin-3-yl]isoindole-1,3-dione

Names & synonyms

SCHEMBL8534773WAXOTAKQXZYIOF-UHFFFAOYSA-N(3RS)-2,3-dihydro-5-(2-fluorophenyl)-1-(2-oxo-2H-1-benzopyran-6-yl)methyl-3-phthalimido-1H-1,4-benzodiazepin-2-one(3RS)-2,3-dihydro-5-(2-flurophenyl)-1-(2-oxo-2H-1-benzopyran-6-yl)methyl-3-phthalimido-1H-1,4-benzodiazepin-2-one

Database identifiers

PubChem CID
19081262

Properties

Computed structural properties

XLogP
5
Topological polar surface area
96.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
4
Heavy atoms
42

Related reactions

3 records

Compound notes

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