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374926-58-6

374926-58-6 | 1H-PYRIDO[3,4-B]INDOLE, 1-(2,3-DIHYDRO-5-BENZOFURANYL)-2,3,4,9-TETRAHYDRO-2-(PHENYLMETHYL)-, (1R)-

CAS No: 374926-58-6 Catalog No: AG0079MA MDL No:

Product Description

Catalog Number:
AG0079MA
Chemical Name:
1H-PYRIDO[3,4-B]INDOLE, 1-(2,3-DIHYDRO-5-BENZOFURANYL)-2,3,4,9-TETRAHYDRO-2-(PHENYLMETHYL)-, (1R)-
CAS Number:
374926-58-6
Molecular Formula:
C26H24N2O
Molecular Weight:
380.4816
IUPAC Name:
(1R)-2-benzyl-1-(2,3-dihydro-1-benzofuran-5-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole
InChI:
InChI=1S/C26H24N2O/c1-2-6-18(7-3-1)17-28-14-12-22-21-8-4-5-9-23(21)27-25(22)26(28)20-10-11-24-19(16-20)13-15-29-24/h1-11,16,26-27H,12-15,17H2/t26-/m1/s1
InChI Key:
IRZCPKQNJILCTM-AREMUKBSSA-N
SMILES:
c1ccc(cc1)CN1CCc2c([C@H]1c1ccc3c(c1)CCO3)[nH]c1c2cccc1

Properties

Complexity:
561  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
380.189g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
380.491g/mol
Monoisotopic Mass:
380.189g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
28.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1  

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