1-(5-tert-butyl-3-(hydroxymethyl)-2-methoxyphenyl)-3-((1S,2R)-1-hydroxy-2,3-dihydro-1H-indene-2-yl)urea

HCID 68107836
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Basic information

Standard SMILES
COc1c(CO)cc(C(C)(C)C)cc1NC(=O)N[C@@H]1Cc2ccccc2[C@@H]1O
InChIKey
IPXWHCXLYCQARP-MJGOQNOKSA-N
Molecular formula
C22H28N2O4
Average molar mass
384.5 g/mol

Names & identifiers

Preferred name
1-(5-tert-butyl-3-(hydroxymethyl)-2-methoxyphenyl)-3-((1S,2R)-1-hydroxy-2,3-dihydro-1H-indene-2-yl)urea
IUPAC
1-[5-tert-butyl-3-(hydroxymethyl)-2-methoxyphenyl]-3-[(1S,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]urea

Names & synonyms

SCHEMBL10321202IPXWHCXLYCQARP-MJGOQNOKSA-N1-(5-tert-butyl-3-(hydroxymethyl)-2-methoxyphenyl)-3-((1S,2R)-1-hydroxy-2,3-dihydro-1H-indene-2-yl)urea

Database identifiers

PubChem CID
68107836

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
90.8 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
28

Related reactions

1 records
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Linked notes

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