Ethyl 3-{4-[4-({2-[17-(3-Carboxy-1-methylpropyl)-7,12-dihydroxy-10,13-dimethylhexadecahydrocyclopenta[a]phenanthren-3-yloxy]ethylcarbamoyl}methyl)phenoxy]-3,5-difluorophenyl}-2-methylacrylate

HCID 69726546
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Basic information

Standard SMILES
CCOC(=O)C(C)=Cc1cc(F)c(Oc2ccc(CC(=O)NCCOC3CCC4(C)C(C3)CC(O)C3C4CC(O)C4(C)C(C(C)CCC(=O)O)CCC34)cc2)c(F)c1
InChIKey
DYOCEYKQSAIAMP-UHFFFAOYSA-N
Molecular formula
C46H61F2NO9
Average molar mass
810 g/mol
Monoisotopic mass
809.43143885

Names & identifiers

Preferred name
Ethyl 3-{4-[4-({2-[17-(3-Carboxy-1-methylpropyl)-7,12-dihydroxy-10,13-dimethylhexadecahydrocyclopenta[a]phenanthren-3-yloxy]ethylcarbamoyl}methyl)phenoxy]-3,5-difluorophenyl}-2-methylacrylate
IUPAC
4-[3-[2-[[2-[4-[4-(3-ethoxy-2-methyl-3-oxoprop-1-enyl)-2,6-difluorophenoxy]phenyl]acetyl]amino]ethoxy]-7,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid

Names & synonyms

SCHEMBL6267542DYOCEYKQSAIAMP-UHFFFAOYSA-NEthyl 3-{4-[4-({2-[17-(3-Carboxy-1-methylpropyl)-7,12-dihydroxy-10,13-dimethylhexadecahydrocyclopenta[a]phenanthren-3-yloxy]ethylcarbamoyl}methyl)phenoxy]-3,5-difluorophenyl}-2-methylacrylate

Database identifiers

PubChem CID
69726546

Properties

Computed structural properties

XLogP
7.8
Topological polar surface area
152 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
11
Rotatable bonds
16
Heavy atoms
58

Related reactions

1 records
New reaction record

Compound notes

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