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7-methoxy-3-phenyl-4-[4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-1,3-dihydroisothiochromen-4-ol;chloride

7-methoxy-3-phenyl-4-[4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-1,3-dihydroisothiochromen-4-ol;chloride structure

CAS No:
34289-02-6
Formula:
C28H32ClNO3S
Chemical Name:
7-methoxy-3-phenyl-4-[4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-1,3-dihydroisothiochromen-4-ol;chloride
Synonyms:
UNII-84H9E7C92A;84H9E7C92A;3,4-Dihydro-7-methoxy-3-phenyl-4-hydroxy-4-(p-(2-(1-pyrrolidyl)ethoxy)phenyl)-1H-2-benzothiapyran hydrochloride;34289-02-6;1H-2-Benzothiopyran-4-ol, 3,4-dihydro-7-methoxy-3-phenyl-4-(4-(2-(1-pyrrolidinyl)ethoxy)phenyl)-, hydrochloride;Q27269527

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7-methoxy-3-phenyl-4-[4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-1,3-dihydroisothiochromen-4-ol;chloride Basic Attributes

Molecular Weight：

498.1 g/mol

Exact Mass：

497.1791428 g/mol

UNII：

84H9E7C92A

Characteristics

PSA：

68.4 Å²

Computed Properties

Molecular Weight:498.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:7
Exact Mass:497.1791428
Monoisotopic Mass:497.1791428
Topological Polar Surface Area:68.4
Heavy Atom Count:34
Complexity:600
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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Guide of 7-methoxy-3-phenyl-4-[4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-1,3-dihydroisothiochromen-4-ol;chloride

Basic Attributes
Characteristics
Computed Properties

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