 Home > Encyclopedia > 2-[(4-hydroxy-3-methoxyphenyl)methylamino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carbonitrile

2-[(4-hydroxy-3-methoxyphenyl)methylamino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carbonitrile

2-[(4-hydroxy-3-methoxyphenyl)methylamino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carbonitrile structure

CAS No:
342381-97-9
Formula:
C23H30N2O2S
Chemical Name:
2-[(4-hydroxy-3-methoxyphenyl)methylamino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carbonitrile
Synonyms:
2-[(4-hydroxy-3-methoxybenzyl)amino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carbonitrile;Oprea1_033977;ZINC2060348;STK998515;AKOS003681528;MCULE-3806488256;AE-848/13006032;342381-97-9

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2-[(4-hydroxy-3-methoxyphenyl)methylamino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carbonitrile Basic Attributes

Molecular Weight：

398.6 g/mol

Exact Mass：

398.20279938 g/mol

Characteristics

PSA：

93.5 Å²

Computed Properties

Molecular Weight:398.6
XLogP3:7.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:398.20279938
Monoisotopic Mass:398.20279938
Topological Polar Surface Area:93.5
Heavy Atom Count:28
Complexity:508
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-[(4-hydroxy-3-methoxyphenyl)methylamino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carbonitrile

Basic Attributes
Characteristics
Computed Properties

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