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1294504-67-8 | 1H-Indole-1-ethanol, 5-amino-2-[1,1-dimethyl-2-(phenylmethoxy)ethyl]-6-fluoro-α-[(phenylmethoxy)methyl]-, (αR)-
CAS No: 1294504-67-8 Catalog No: AG000Z4Q MDL No:MFCD23106326
Product Description
Catalog Number:
AG000Z4Q
Chemical Name:
1H-Indole-1-ethanol, 5-amino-2-[1,1-dimethyl-2-(phenylmethoxy)ethyl]-6-fluoro-α-[(phenylmethoxy)methyl]-, (αR)-
CAS Number:
1294504-67-8
Molecular Formula:
C29H33FN2O3
Molecular Weight:
476.5823
MDL Number:
MFCD23106326
IUPAC Name:
(2R)-1-[5-amino-6-fluoro-2-(2-methyl-1-phenylmethoxypropan-2-yl)indol-1-yl]-3-phenylmethoxypropan-2-ol
InChI:
InChI=1S/C29H33FN2O3/c1-29(2,20-35-18-22-11-7-4-8-12-22)28-14-23-13-26(31)25(30)15-27(23)32(28)16-24(33)19-34-17-21-9-5-3-6-10-21/h3-15,24,33H,16-20,31H2,1-2H3/t24-/m1/s1
InChI Key:
RABRVTLWYYBNAK-XMMPIXPASA-N
SMILES:
O[C@H](Cn1c2cc(F)c(cc2cc1C(COCc1ccccc1)(C)C)N)COCc1ccccc1
Properties
Complexity:
623
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
476.248g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
476.592g/mol
Monoisotopic Mass:
476.248g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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