Bmy 22089
Basic information
- CAS
123284-04-8- Standard SMILES
Cn1nnnc1C(/C=C/[C@H]1C[C@H](O)CC(=O)O1)=C(c1ccc(F)cc1)c1ccc(F)cc1- InChIKey
VIMMECPCYZXUCI-MIMFYIINSA-N- Molecular formula
- C23H20F2N4O3
- Average molar mass
- 438.4 g/mol
- Monoisotopic mass
- 438.15034684
Overview
structure given in first source; RN given is for (1:4S 2:trans) isomer
Names & identifiers
- Preferred name
- Bmy 22089
- IUPAC
- (4S,6R)-6-[(1E)-4,4-bis(4-fluorophenyl)-3-(1-methyltetrazol-5-yl)buta-1,3-dienyl]-4-hydroxyoxan-2-one
Names & synonyms
Bmy 22089123284-04-8(4S,6R)-6-[(1E)-4,4-bis(4-fluorophenyl)-3-(1-methyltetrazol-5-yl)buta-1,3-dienyl]-4-hydroxyoxan-2-one(4S,6R)-6-((1E)-4,4-bis(4-fluorophenyl)-3-(1-methyltetrazol-5-yl)buta-1,3-dienyl)-4-hydroxyoxan-2-oneRefChem:917433CHEMBL2367463compound 4a [PMID: 2231596]GTPL2973orb1698063BMY22089BDBM50452635AKOS040750879
Show more names
T30547Q270754032H-Pyran-2-one, 6-(4,4-bis(4-fluorophenyl)-3-(1-methyl-1H-tetrazol-5-yl)-1,3-butadienyl)tetrahydro-4-hydroxy-, (4S-trans)-
Database identifiers
- CAS
123284-04-8- PubChem CID
- 6439149
- ChEMBL
CHEMBL2367463
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 90.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 694
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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