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159992-42-4 | 1H-Indol-5-ol, 2,6-bis[2-amino-1-(6-bromo-1H-indol-3-yl)ethyl]-3-(2-aminoethyl)- (9CI)
CAS No: 159992-42-4 Catalog No: AG001RKU MDL No:
Product Description
Catalog Number:
AG001RKU
Chemical Name:
1H-Indol-5-ol, 2,6-bis[2-amino-1-(6-bromo-1H-indol-3-yl)ethyl]-3-(2-aminoethyl)- (9CI)
CAS Number:
159992-42-4
Molecular Formula:
C30H30Br2N6O
Molecular Weight:
650.4068
IUPAC Name:
2,6-bis[2-amino-1-(6-bromo-1H-indol-3-yl)ethyl]-3-(2-aminoethyl)-1H-indol-5-ol
InChI:
InChI=1S/C30H30Br2N6O/c31-15-1-3-17-24(13-36-26(17)7-15)22(11-34)21-9-28-20(10-29(21)39)19(5-6-33)30(38-28)23(12-35)25-14-37-27-8-16(32)2-4-18(25)27/h1-4,7-10,13-14,22-23,36-39H,5-6,11-12,33-35H2
InChI Key:
CYAJKOUHPRYFRD-UHFFFAOYSA-N
SMILES:
NCCc1c2cc(O)c(cc2[nH]c1C(c1c[nH]c2c1ccc(c2)Br)CN)C(c1c[nH]c2c1ccc(c2)Br)CN
Properties
Complexity:
824
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
650.083g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
7
Isotope Atom Count:
0
Molecular Weight:
650.419g/mol
Monoisotopic Mass:
648.085g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
146A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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