Benzyl 4-[3-(4-chlorophenoxy)azetidin-1-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoate

HCID 69409256
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Basic information

Standard SMILES
CC(C)(C)OC(=O)NC(CC(=O)N1CC(Oc2ccc(Cl)cc2)C1)C(=O)OCc1ccccc1
InChIKey
NKXSWQFNWBVEQP-UHFFFAOYSA-N
Molecular formula
C25H29ClN2O6
Average molar mass
489 g/mol

Names & identifiers

Preferred name
Benzyl 4-[3-(4-chlorophenoxy)azetidin-1-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoate
IUPAC
benzyl 4-[3-(4-chlorophenoxy)azetidin-1-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoate

Names & synonyms

SCHEMBL5331915

Database identifiers

PubChem CID
69409256

Properties

Computed structural properties

XLogP
3.9
Topological polar surface area
94.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
11
Heavy atoms
34

Related reactions

1 records
New reaction record

Compound notes

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