2-(1,2,3,4,10,14b-Hexahydrodibenzo[c,f]pyrazino[1,2-a]azepin-2-yl)ethoxyacetic acid

HCID 9928443
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Basic information

Standard SMILES
O=C(O)COCCN1CCN2c3ccccc3Cc3ccccc3C2C1
InChIKey
UDSYXBAFLSDJAF-UHFFFAOYSA-N
Molecular formula
C21H24N2O3
Average molar mass
352.4 g/mol
Monoisotopic mass
352.17869263

Names & identifiers

Preferred name
2-(1,2,3,4,10,14b-Hexahydrodibenzo[c,f]pyrazino[1,2-a]azepin-2-yl)ethoxyacetic acid
IUPAC
2-[2-(2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-5-yl)ethoxy]acetic acid

Names & synonyms

SCHEMBL9121455UDSYXBAFLSDJAF-UHFFFAOYSA-N2-(1,2,3,4,10,14b-Hexahydrodibenzo[c,f]pyrazino[1,2-a]azepin-2-yl)ethoxyacetic acid

Database identifiers

PubChem CID
9928443

Properties

Computed structural properties

XLogP
0.6
Topological polar surface area
53 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
26

Related reactions

14 records
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Compound notes

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