Methyl 3-(4-{4-[1-(2-chlorophenyl)ethoxycarbonylamino]-3-isoxazolyl}benzylsulfanyl)propionate

HCID 11454331

Basic information

Standard SMILES
COC(=O)CCSCc1ccc(-c2nocc2NC(=O)OC(C)c2ccccc2Cl)cc1
InChIKey
CMYCGBYGZDLIPD-UHFFFAOYSA-N
Molecular formula
C23H23ClN2O5S
Average molar mass
475 g/mol

Names & identifiers

Preferred name
Methyl 3-(4-{4-[1-(2-chlorophenyl)ethoxycarbonylamino]-3-isoxazolyl}benzylsulfanyl)propionate
IUPAC
methyl 3-[[4-[4-[1-(2-chlorophenyl)ethoxycarbonylamino]-1,2-oxazol-3-yl]phenyl]methylsulfanyl]propanoate

Names & synonyms

SCHEMBL4020507CMYCGBYGZDLIPD-UHFFFAOYSA-Nmethyl 3-(4-{4-[1-(2-chlorophenyl)ethoxycarbonylamino]-3-isoxazolyl}benzylsulfanyl)propionatemethyl 3-(4-{4-[1-(2-chlorophenyl)ethoxycarbonylamino]-3-isoxazolyl}benzylsulfanyl)propionoate

Database identifiers

PubChem CID
11454331

Properties

Computed structural properties

XLogP
4.4
Topological polar surface area
116 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
11
Heavy atoms
32

Related reactions

7 records

Compound notes

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