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3,3-dimethyl-8-[4-(2-phenylacetyl)piperazin-1-yl]-6-sulfanylidene-4,7-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile

3,3-dimethyl-8-[4-(2-phenylacetyl)piperazin-1-yl]-6-sulfanylidene-4,7-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile structure

CAS No:
374098-82-5
Formula:
C23H26N4O2S
Chemical Name:
3,3-dimethyl-8-[4-(2-phenylacetyl)piperazin-1-yl]-6-sulfanylidene-4,7-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
Synonyms:
Oprea1_363537;MLS000779374;STK526218;ZINC13774359;AKOS005459912;MCULE-6138475157;SMR000416088;3,3-dimethyl-8-[4-(phenylacetyl)piperazin-1-yl]-6-sulfanyl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile;374098-82-5;6-Mercapto-3,3-dimethyl-8-(4-phenylacetyl-piperazin-1-yl)-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carb onitrile

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3,3-dimethyl-8-[4-(2-phenylacetyl)piperazin-1-yl]-6-sulfanylidene-4,7-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile Basic Attributes

Molecular Weight：

422.5 g/mol

Exact Mass：

422.17764726 g/mol

Characteristics

PSA：

101 Å²

Computed Properties

Molecular Weight:422.5
XLogP3:1.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:422.17764726
Monoisotopic Mass:422.17764726
Topological Polar Surface Area:101
Heavy Atom Count:30
Complexity:837
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3,3-dimethyl-8-[4-(2-phenylacetyl)piperazin-1-yl]-6-sulfanylidene-4,7-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile

Basic Attributes
Characteristics
Computed Properties

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