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4-(2-Chloro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-1-piperazineethanol

4-(2-Chloro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-1-piperazineethanol structure

CAS No:
56934-18-0
Formula:
C20H23ClN2OS
Chemical Name:
4-(2-Chloro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-1-piperazineethanol
Synonyms:
1-Piperazineethanol,4-(2-chloro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-;Dibenzo[b,f]thiepin,1-piperazineethanol deriv.;4-(2-Chloro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-1-piperazineethanol;Docloxythepin;Dochloxythepin;124644-72-0;73201-37-3

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4-(2-Chloro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-1-piperazineethanol Basic Attributes

Molecular Weight：

374.92700

Exact Mass：

374.93

Characteristics

PSA：

52.01000

XLogP3：

3.57410

Density：

1.281g/cm3

Melting Point：

102-103 °C @ Solvent: Acetone

Boiling Point：

514ºC

Flash Point：

262.5ºC

Refractive Index：

1.644

Drug Information

MeSH Entry Terms：

2-chloro-10-(4-(2-hydroxyethyl)piperazino)-10,11- dihydrodibenzo(b,f)thiepin

Computed Properties

Molecular Weight:374.9
XLogP3:3.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:374.1219622
Monoisotopic Mass:374.1219622
Topological Polar Surface Area:52
Heavy Atom Count:25
Complexity:432
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-(2-Chloro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-1-piperazineethanol

Basic Attributes
Characteristics
Drug Information
Computed Properties

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