(S)-2-Fluoro-N-[(S)-5-(2-methoxy-ethyl)-6-oxo-6,7-dihydro-5H-dibenzo[b,d]azepin-7-yl]-2-methyl-malonamic acid ethyl ester

HCID 58972467
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Basic information

Standard SMILES
CCOC(=O)[C@@](C)(F)C(=O)N[C@@H]1C(=O)N(CCOC)c2ccccc2-c2ccccc21
InChIKey
CSUHHHMYHKZYNU-CVDCTZTESA-N
Molecular formula
C23H25FN2O5
Average molar mass
428.5 g/mol
Monoisotopic mass
428.17475006

Names & identifiers

Preferred name
(S)-2-Fluoro-N-[(S)-5-(2-methoxy-ethyl)-6-oxo-6,7-dihydro-5H-dibenzo[b,d]azepin-7-yl]-2-methyl-malonamic acid ethyl ester
IUPAC
ethyl (2S)-2-fluoro-3-[[(7S)-5-(2-methoxyethyl)-6-oxo-7H-benzo[d][1]benzazepin-7-yl]amino]-2-methyl-3-oxopropanoate

Names & synonyms

SCHEMBL5099881CSUHHHMYHKZYNU-CVDCTZTESA-N(S)-2-Fluoro-N-[(S)-5-(2-methoxy-ethyl)-6-oxo-6,7-dihydro-5H-dibenzo[b,d]azepin-7-yl]-2-methyl-malonamic acid ethyl ester

Database identifiers

PubChem CID
58972467

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
84.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
8
Heavy atoms
31

Related reactions

1 records
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Compound notes

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