Basic information
- CAS
341986-84-3- Standard SMILES
Cc1oc(-c2ccccc2)nc1CCOc1ccc2c(c1)CN(Cc1ccccc1)[C@H](C(=O)O)C2- InChIKey
KJGKZLYGWWKIAK-MHZLTWQESA-N- Molecular formula
- C29H28N2O4
- Average molar mass
- 468.5 g/mol
- Monoisotopic mass
- 468.20490738
Names & identifiers
- Preferred name
- KY-021
- IUPAC
- (3S)-2-benzyl-7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
Names & synonyms
9E7C72C2TMKY021KY-021(3S)-1,2,3,4-Tetrahydro-7-(2-(5-methyl-2-phenyl-4-oxazolyl)ethoxy)-2-(phenylmethyl)-3-isoquinolinecarboxylic acid3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-7-(2-(5-methyl-2-phenyl-4-oxazolyl)ethoxy)-2-(phenylmethyl)-, (3S)-341986-84-3RefChem:151596UNII-9E7C72C2TM
Database identifiers
- CAS
341986-84-3- PubChem CID
- 9869248
- UNII
- 9E7C72C2TM
- Nikkaji
- J2.567.626B
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 75.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 678
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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