(3-(5-Chloro-2-cyano-4-fluorophenoxy)-3-(6-methoxy-2-pyridinyl)-propyl]-carbamic acid 1,1-dimethylethyl ester

HCID 86759697
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Basic information

Standard SMILES
COc1cccc(C(CCNC(=O)OC(C)(C)C)Oc2cc(Cl)c(F)cc2C#N)n1
InChIKey
WMUYIXBPDMIASO-UHFFFAOYSA-N
Molecular formula
C21H23ClFN3O4
Average molar mass
435.9 g/mol
Monoisotopic mass
435.1361121

Names & identifiers

Preferred name
(3-(5-Chloro-2-cyano-4-fluorophenoxy)-3-(6-methoxy-2-pyridinyl)-propyl]-carbamic acid 1,1-dimethylethyl ester
IUPAC
tert-butyl N-[3-(5-chloro-2-cyano-4-fluorophenoxy)-3-(6-methoxy-2-pyridinyl)propyl]carbamate

Names & synonyms

WMUYIXBPDMIASO-UHFFFAOYSA-N(3-(5-Chloro-2-cyano-4-fluorophenoxy)-3-(6-methoxy-2-pyridinyl)-propyl]-carbamic acid 1,1-dimethylethyl ester

Database identifiers

PubChem CID
86759697

Properties

Computed structural properties

XLogP
4.2
Topological polar surface area
93.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
9
Heavy atoms
30

Related reactions

2 records
New reaction record

Compound notes

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