Methyl 7-(4-((4-chlorophenethyl)carbamoyl)phenoxy)-3,4-dihydro-2H-chromene-4-carboxylate

HCID 67080596

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: COC(=O)C1CCOc2cc(Oc3ccc(C(=O)NCCc4ccc(Cl)cc4)cc3)ccc21
InChIKey: ZNQFNLRRXAYYJM-UHFFFAOYSA-N
Molecular formula: C26H24ClNO5
Average molar mass: 465.9 g/mol
Monoisotopic mass: 465.1343006

Names & identifiers

Preferred name: Methyl 7-(4-((4-chlorophenethyl)carbamoyl)phenoxy)-3,4-dihydro-2H-chromene-4-carboxylate
IUPAC: methyl 7-[4-[2-(4-chlorophenyl)ethylcarbamoyl]phenoxy]-3,4-dihydro-2H-chromene-4-carboxylate

Names & synonyms

SCHEMBL1570475ZNQFNLRRXAYYJM-UHFFFAOYSA-Nmethyl 7-(4-((4-chlorophenethyl)carbamoyl) phenoxy)-3,4-dihydro-2h-chromene-4-carboxylateMethyl 7-(4-((4-chlorophenethyl)carbamoyl)phenoxy)-3,4-dihydro-2H-chromene-4-carboxylate

Database identifiers

PubChem CID: 67080596

Properties

Computed structural properties

XLogP: 5.2
Topological polar surface area: 73.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 8
Heavy atoms: 33
Formal charge: 0
Complexity: 645

Related reactions

8 records

New reaction record

HRID 510715As productuspto-grants-2015_08

HRID 510716As reactantuspto-grants-2015_08

HRID 809911As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 836941As productTest data from https://doi.org/10.1039/C8SC04228D

HRID 1021481As productuspto-grants-2014_05

HRID 1021482As reactantuspto-grants-2014_05

HRID 1048110As productuspto-grants-2013_10

HRID 1048111As reactantuspto-grants-2013_10

Compound notes

Loading…