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70265-27-9 | 6,7-BIS(PHENYLMETHOXY)-1-((5-(PHENYLMETHOXY)-3-INDOLYL)METHYL)-1,2,3,4-TETRAHYDROISOQUINOLINE
CAS No: 70265-27-9 Catalog No: AG006A79 MDL No:
Product Description
Catalog Number:
AG006A79
Chemical Name:
6,7-BIS(PHENYLMETHOXY)-1-((5-(PHENYLMETHOXY)-3-INDOLYL)METHYL)-1,2,3,4-TETRAHYDROISOQUINOLINE
CAS Number:
70265-27-9
Molecular Formula:
C39H36N2O3
Molecular Weight:
580.7147
IUPAC Name:
6,7-bis(phenylmethoxy)-1-[(5-phenylmethoxy-1H-indol-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
InChI:
InChI=1S/C39H36N2O3/c1-4-10-28(11-5-1)25-42-33-16-17-36-34(22-33)32(24-41-36)20-37-35-23-39(44-27-30-14-8-3-9-15-30)38(21-31(35)18-19-40-37)43-26-29-12-6-2-7-13-29/h1-17,21-24,37,40-41H,18-20,25-27H2
InChI Key:
QKKQWXVONFBBNO-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)COc1cc2c(cc1OCc1ccccc1)CCNC2Cc1c[nH]c2c1cc(OCc1ccccc1)cc2
Properties
Complexity:
837
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
580.273g/mol
Formal Charge:
0
Heavy Atom Count:
44
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
580.728g/mol
Monoisotopic Mass:
580.273g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
55.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
7.8
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