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Ethyl 2-amino-3-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propoxy]phenyl]propanoate (HCID 22599472)|Huagongshe
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Compound
Ethyl 2-amino-3-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propoxy]phenyl]propanoate
HCID
22599472
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Basic information
Standard SMILES
CCOC(=O)C(N)Cc1ccc(OCCCc2ccc3c(n2)NCCC3)cc1
InChIKey
PHSQCHITRPFZIA-UHFFFAOYSA-N
Molecular formula
C22H29N3O3
Average molar mass
383.5 g/mol
Names & identifiers
Preferred name
Ethyl 2-amino-3-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propoxy]phenyl]propanoate
IUPAC
ethyl 2-amino-3-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propoxy]phenyl]propanoate
Database identifiers
PubChem CID
22599472
Properties
Computed structural properties
XLogP
3.5
Topological polar surface area
86.5 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
10
Heavy atoms
28
Formal charge
0
Complexity
468
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Related reactions
1 records
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As solvent
HRID
314224
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
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