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Home > Encyclopedia > 1-[4-(2-(Azepan-1-yl)ethoxy)benzyl]-5-(benzyloxy)-2-(4-(benzyloxy)phenyl)-3-methyl-1H-indole

1-[4-(2-(Azepan-1-yl)ethoxy)benzyl]-5-(benzyloxy)-2-(4-(benzyloxy)phenyl)-3-methyl-1H-indole

1-[4-(2-(Azepan-1-yl)ethoxy)benzyl]-5-(benzyloxy)-2-(4-(benzyloxy)phenyl)-3-methyl-1H-indole structure

1-[4-(2-(Azepan-1-yl)ethoxy)benzyl]-5-(benzyloxy)-2-(4-(benzyloxy)phenyl)-3-methyl-1H-indole 

structure
  • CAS No:

    198480-21-6

  • Formula:

    C44H46N2O3

  • Chemical Name:

    1-[4-(2-(Azepan-1-yl)ethoxy)benzyl]-5-(benzyloxy)-2-(4-(benzyloxy)phenyl)-3-methyl-1H-indole

  • Synonyms:

    1H-Indole,1-[[4-[2-(hexahydro-1H-azepin-1-yl)ethoxy]phenyl]methyl]-3-methyl-5-(phenylmethoxy)-2-[4-(phenylmethoxy)phenyl]-;1-[[4-[2-(Hexahydro-1H-azepin-1-yl)ethoxy]phenyl]methyl]-3-methyl-5-(phenylmethoxy)-2-[4-(phenylmethoxy)phenyl]-1H-indole;1-[4-(2-(Azepan-1-yl)ethoxy)benzyl]-5-(benzyloxy)-2-(4-(benzyloxy)phenyl)-3-methyl-1H-indole

  • Categories:

    Pharmaceutical Intermediates  >  Bulk Drug Intermediates

1-[4-(2-(Azepan-1-yl)ethoxy)benzyl]-5-(benzyloxy)-2-(4-(benzyloxy)phenyl)-3-methyl-1H-indole Basic Attributes

650.84764

650.85

1308068-626-2

DTXSID00432463

Characteristics

35.9

9.8

1.12±0.1 g/cm3(Predicted)

810.3±65.0 °C(Predicted)

443.9±34.3 °C

1.604

Safety Information

P201, P202, P281, P308+P313, P405, P501

H360

|Danger|H360 (100%): May damage fertility or the unborn child [Danger Reproductive toxicity]|P201, P202, P281, P308+P313, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:650.8
XLogP3:9.8
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:13
Exact Mass:650.35084333
Monoisotopic Mass:650.35084333
Topological Polar Surface Area:35.9
Heavy Atom Count:49
Complexity:911
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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