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2H-1-Benzopyran-3-amine, 3,4-dihydro-N-(3-((3,4-dihydro-2H-1-benzothiopyran-8-yl)oxy)propyl)-5-methoxy-, (E)-2-butenedioate (1:1)

HCID 6448841
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Basic information

CAS
153804-56-9
Standard SMILES
COc1cccc2c1CC(NCCCOc1cccc3c1SCCC3)CO2.O=C(O)/C=C/C(=O)O
InChIKey
VHWOFEFVULXBPE-WLHGVMLRSA-N
Molecular formula
C26H31NO7S
Average molar mass
501.6 g/mol
Monoisotopic mass
501.1821235

Names & identifiers

Preferred name
2H-1-Benzopyran-3-amine, 3,4-dihydro-N-(3-((3,4-dihydro-2H-1-benzothiopyran-8-yl)oxy)propyl)-5-methoxy-, (E)-2-butenedioate (1:1)
IUPAC
(E)-but-2-enedioic acid;N-[3-(3,4-dihydro-2H-thiochromen-8-yloxy)propyl]-5-methoxy-3,4-dihydro-2H-chromen-3-amine

Names & synonyms

153804-56-92H-1-Benzopyran-3-amine, 3,4-dihydro-N-(3-((3,4-dihydro-2H-1-benzothiopyran-8-yl)oxy)propyl)-5-methoxy-, (E)-2-butenedioate (1:1)RefChem:1065187

Database identifiers

CAS
153804-56-9
PubChem CID
6448841

Properties

Computed structural properties

Topological polar surface area
140 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
9
Rotatable bonds
9
Heavy atoms
35
Formal charge
0
Complexity
570

Related reactions

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Compound notes

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