Bms-229724
Basic information
- CAS
221914-85-8- Standard SMILES
O=C(CCc1ccc(OCCS(=O)(=O)CCOC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1)C(F)(F)F- InChIKey
IKQYQTPQMAIVQR-UHFFFAOYSA-N- Molecular formula
- C27H25Cl2F3O5S
- Average molar mass
- 589.4 g/mol
- Monoisotopic mass
- 588.0751849
Overview
a phospholipase A2 inhibitor; structure in first source
Names & identifiers
- Preferred name
- Bms-229724
- IUPAC
- 4-[4-[2-[2-[bis(4-chlorophenyl)methoxy]ethylsulfonyl]ethoxy]phenyl]-1,1,1-trifluorobutan-2-one
Names & synonyms
BMS-229724221914-85-82-Butanone, 4-(4-(2-((2-(bis(4-chlorophenyl)methoxy)ethyl)sulfonyl)ethoxy)phenyl)-1,1,1-trifluoro-42AD6D8ECA4-(4-(2-(2-(bis(4-chlorophenyl)methoxy)ethylsulfonyl)ethoxy)phenyl)-1,1,1-trifluoro-2-butanoneRefChem:917416BMS229724BMS 2297244-[4-[2-[2-[bis(4-chlorophenyl)methoxy]ethylsulfonyl]ethoxy]phenyl]-1,1,1-trifluorobutan-2-oneUNII-42AD6D8ECAIKQYQTPQMAIVQR-UHFFFAOYSA-Norb1698103
Show more names
SCHEMBL3304414AKOS040750845T30507Q272585214-(4-(2-((2-(Bis(4-chlorophenyl)methoxy)ethyl)sulfonyl)ethoxy)phenyl)-1,1,1-trifluorobutan-2-one
Database identifiers
- CAS
221914-85-8- PubChem CID
- 9851408
- UNII
- 42AD6D8ECA
- Nikkaji
- J1.584.599F
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 78.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 13
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 790
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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