 Home > Encyclopedia > 3a,4,7,7a-Tetrahydro-2-[[[2-(pentylthio)-6-benzothiazolyl]amino]methyl]-4,7-methano-1H-isoindole-1,3(2H)-dione

3a,4,7,7a-Tetrahydro-2-[[[2-(pentylthio)-6-benzothiazolyl]amino]methyl]-4,7-methano-1H-isoindole-1,3(2H)-dione

3a,4,7,7a-Tetrahydro-2-[[[2-(pentylthio)-6-benzothiazolyl]amino]methyl]-4,7-methano-1H-isoindole-1,3(2H)-dione structure

CAS No:
73844-16-3
Formula:
C22H25N3O2S2
Chemical Name:
3a,4,7,7a-Tetrahydro-2-[[[2-(pentylthio)-6-benzothiazolyl]amino]methyl]-4,7-methano-1H-isoindole-1,3(2H)-dione
Synonyms:
4,7-Methano-1H-isoindole-1,3(2H)-dione,3a,4,7,7a-tetrahydro-2-[[[2-(pentylthio)-6-benzothiazolyl]amino]methyl]-;3a,4,7,7a-Tetrahydro-2-[[[2-(pentylthio)-6-benzothiazolyl]amino]methyl]-4,7-methano-1H-isoindole-1,3(2H)-dione;NSC 327341

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3a,4,7,7a-Tetrahydro-2-[[[2-(pentylthio)-6-benzothiazolyl]amino]methyl]-4,7-methano-1H-isoindole-1,3(2H)-dione Basic Attributes

Molecular Weight：

427.6 g/mol

Exact Mass：

427.58

NSC Number：

327341

DSSTox ID：

DTXSID20318210

Characteristics

PSA：

116 Å²

Melting Point：

112-113.5 °C @ Solvent: Ethanol, Water

Computed Properties

Molecular Weight:427.6
XLogP3:5.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:8
Exact Mass:427.13881940
Monoisotopic Mass:427.13881940
Topological Polar Surface Area:116
Heavy Atom Count:29
Complexity:657
Undefined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3a,4,7,7a-Tetrahydro-2-[[[2-(pentylthio)-6-benzothiazolyl]amino]methyl]-4,7-methano-1H-isoindole-1,3(2H)-dione

Basic Attributes
Characteristics
Computed Properties

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