Basic information
- Standard SMILES
COC(=O)c1ccc(S(=O)(=O)Cc2c(O[C@H](Cn3ccnc3)c3ccccc3)ccc3c2CCCC3=O)cc1- InChIKey
BOYAXNSBVREAPS-GDLZYMKVSA-N- Molecular formula
- C30H28N2O6S
- Average molar mass
- 544.6 g/mol
- Monoisotopic mass
- 544.16680779
Names & identifiers
- Preferred name
- Methyl 4-{[(2-{[(1S)-2-(1H-imidazol-1-yl)-1-phenylethyl]oxy}-5-oxo-5,6,7,8-tetrahydro-1-naphthalenyl)methyl]sulfonyl}benzoate
- IUPAC
- methyl 4-[[2-[(1S)-2-imidazol-1-yl-1-phenylethoxy]-5-oxo-7,8-dihydro-6H-naphthalen-1-yl]methylsulfonyl]benzoate
Names & synonyms
SCHEMBL6300806BOYAXNSBVREAPS-GDLZYMKVSA-NMethyl 4-{[(2-{[(1S)-2-(1H-imidazol-1-yl)-1-phenylethyl]oxy}-5-oxo-5,6,7,8-tetrahydro-1-naphthalenyl)methyl]sulfonyl}benzoate
Database identifiers
- PubChem CID
- 60029937
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 938
Related reactions
1 records
Compound notes
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