2-Amino-2-(6-(3-(benzyloxy)phenylthio)naphthalen-2-yl)propane-1,3-diol

HCID 46196358
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Basic information

Standard SMILES
NC(CO)(CO)c1ccc2cc(Sc3cccc(OCc4ccccc4)c3)ccc2c1
InChIKey
RTYBVYYKZDAWSN-UHFFFAOYSA-N
Molecular formula
C26H25NO3S
Average molar mass
431.5 g/mol
Monoisotopic mass
431.15551483

Names & identifiers

Preferred name
2-Amino-2-(6-(3-(benzyloxy)phenylthio)naphthalen-2-yl)propane-1,3-diol
IUPAC
2-amino-2-[6-(3-phenylmethoxyphenyl)sulfanylnaphthalen-2-yl]propane-1,3-diol

Names & synonyms

2-Amino-2-(6-(3-(benzyloxy)phenylthio)naphthalen-2-yl)propane-1,3-diolSCHEMBL2483612RTYBVYYKZDAWSN-UHFFFAOYSA-N1225353-67-2DB-323678

Database identifiers

PubChem CID
46196358

Properties

Computed structural properties

XLogP
4.1
Topological polar surface area
101 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
5
Rotatable bonds
8
Heavy atoms
31

Related reactions

2 records
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Compound notes

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