1-[(4,5-Diphenyloxazol-2-yl)methylthio]-1,2,3,4-tetrahydro-5-methoxycarbonylmethoxynaphthalene

HCID 18367406
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Basic information

Standard SMILES
COC(=O)COc1cccc2c1CCCC2SCc1nc(-c2ccccc2)c(-c2ccccc2)o1
InChIKey
DEDKTWCADGKHRO-UHFFFAOYSA-N
Molecular formula
C29H27NO4S
Average molar mass
485.6 g/mol

Names & identifiers

Preferred name
1-[(4,5-Diphenyloxazol-2-yl)methylthio]-1,2,3,4-tetrahydro-5-methoxycarbonylmethoxynaphthalene
IUPAC
methyl 2-[[5-[(4,5-diphenyl-1,3-oxazol-2-yl)methylsulfanyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetate

Names & synonyms

SCHEMBL7483732DEDKTWCADGKHRO-UHFFFAOYSA-N1-[(4,5-diphenyloxazol-2-yl)methylthio]-1,2,3,4-tetrahydro-5-methoxycarbonylmethoxynaphthalene

Database identifiers

PubChem CID
18367406

Properties

Computed structural properties

XLogP
6.3
Topological polar surface area
86.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
9
Heavy atoms
35

Related reactions

3 records
New reaction record

Compound notes

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