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
- Formal charge
- 0
- Complexity
- 1,160
Related reactions
3 records
Compound notes
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