{2-[2-(4-Chlorobutoxy)-ethoxy]ethyl}-carbamic acid anthracen-9-ylmethyl ester

HCID 10025685

Basic information

Standard SMILES
O=C(NCCOCCOCCCCCl)OCc1c2ccccc2cc2ccccc12
InChIKey
KGVKQBCPCNTBHZ-UHFFFAOYSA-N
Molecular formula
C24H28ClNO4
Average molar mass
429.9 g/mol
Monoisotopic mass
429.1706861

Names & identifiers

Preferred name
{2-[2-(4-Chlorobutoxy)-ethoxy]ethyl}-carbamic acid anthracen-9-ylmethyl ester
IUPAC
anthracen-9-ylmethyl N-[2-[2-(4-chlorobutoxy)ethoxy]ethyl]carbamate

Names & synonyms

SCHEMBL997029KGVKQBCPCNTBHZ-UHFFFAOYSA-N{2-[2-(4-Chlorobutoxy)-ethoxy]-ethyl}-carbamic acid anthracen-9-ylmethyl ester{2-[2-(4-Chlorobutoxy)-ethoxy]ethyl}-carbamic acid anthracen-9-ylmethyl ester

Database identifiers

PubChem CID
10025685

Properties

Computed structural properties

XLogP
4.9
Topological polar surface area
56.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
13
Heavy atoms
30

Related reactions

17 records

Linked notes

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