({3-[5-(3,5-Dichloro-4-fluoro-phenyl)-5-trifluoromethyl-4,5-dihydro-isoxazol-3-yl]-5,6-dihydro-4H-cyclopenta[c]thiophene-1-carbonyl}-amino)-acetic acid methyl ester

HCID 86693751
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Basic information

Standard SMILES
COC(=O)CNC(=O)c1sc(C2=NOC(c3cc(Cl)c(F)c(Cl)c3)(C(F)(F)F)C2)c2c1CCC2
InChIKey
OMXVYTDFEWGKSU-UHFFFAOYSA-N
Molecular formula
C21H16Cl2F4N2O4S
Average molar mass
539.3 g/mol

Names & identifiers

Preferred name
({3-[5-(3,5-Dichloro-4-fluoro-phenyl)-5-trifluoromethyl-4,5-dihydro-isoxazol-3-yl]-5,6-dihydro-4H-cyclopenta[c]thiophene-1-carbonyl}-amino)-acetic acid methyl ester
IUPAC
methyl 2-[[1-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-5,6-dihydro-4H-cyclopenta[c]thiophene-3-carbonyl]amino]acetate

Names & synonyms

({3-[5-(3,5-Dichloro-4-fluoro-phenyl)-5-trifluoromethyl-4,5-dihydro-isoxazol-3-yl]-5,6-dihydro-4H-cyclopenta[c]thiophene-1-carbonyl}-amino)-acetic acid methyl esterSCHEMBL13858002

Database identifiers

PubChem CID
86693751

Properties

Computed structural properties

XLogP
6
Topological polar surface area
105 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
10
Rotatable bonds
6
Heavy atoms
34

Related reactions

6 records
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Compound notes

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