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3-[4-(3-methylsulfinyl-11-oxo-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-1-ol

3-[4-(3-methylsulfinyl-11-oxo-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-1-ol structure

CAS No:
41931-98-0
Formula:
C22H28N2O3S2
Chemical Name:
3-[4-(3-methylsulfinyl-11-oxo-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-1-ol
Synonyms:
1-Piperazinepropanol,4-(10,11-dihydro-8-(methylsulfinyl)dibenzo(b,f)thiepin-10-yl)-,S-oxide; Oxyprothepin 5,8-disulfide; AC-6793; 4-(10,11-Dihydro-8-(methylsulfinyl)dibenzo(b,f)thiepin-10-yl)-1-piperazinepropanol S-oxide; 8-Methansulfinyl-10-<4-(3-hydroxypropyl)piperazin>-10,11-dihydrodibenzothiepin-5-oxid;

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3-[4-(3-methylsulfinyl-11-oxo-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-1-ol Basic Attributes

Molecular Weight：

432.59900

Exact Mass：

432.15413511

Characteristics

PSA：

99.27000

XLogP3：

3.79510

Density：

1.41g/cm3

Boiling Point：

652.7ºC

Refractive Index：

1.72

Computed Properties

Molecular Weight:432.6
XLogP3:1.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:432.15413511
Monoisotopic Mass:432.15413511
Topological Polar Surface Area:99.3
Heavy Atom Count:29
Complexity:597
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-[4-(3-methylsulfinyl-11-oxo-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-1-ol

Basic Attributes
Characteristics
Computed Properties

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