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182133-25-1

182133-25-1 | Benzo[b]thiophene-6-ol, 2-(4-methoxyphenyl)-3-[4-[2-(1-piperidinyl)ethoxy]phenoxy]-

CAS No: 182133-25-1 Catalog No: AG0023F4 MDL No:

Product Description

Catalog Number:
AG0023F4
Chemical Name:
Benzo[b]thiophene-6-ol, 2-(4-methoxyphenyl)-3-[4-[2-(1-piperidinyl)ethoxy]phenoxy]-
CAS Number:
182133-25-1
Molecular Formula:
C28H29NO4S
Molecular Weight:
475.5992
IUPAC Name:
2-(4-methoxyphenyl)-3-[4-(2-piperidin-1-ylethoxy)phenoxy]-1-benzothiophen-6-ol
InChI:
InChI=1S/C28H29NO4S/c1-31-22-8-5-20(6-9-22)28-27(25-14-7-21(30)19-26(25)34-28)33-24-12-10-23(11-13-24)32-18-17-29-15-3-2-4-16-29/h5-14,19,30H,2-4,15-18H2,1H3
InChI Key:
MCGDSOGUHLTADD-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1sc2c(c1Oc1ccc(cc1)OCCN1CCCCC1)ccc(c2)O
UNII:
E569WG6E60

Properties

Complexity:
601  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
475.182g/mol
Formal Charge:
0
Heavy Atom Count:
34  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
475.603g/mol
Monoisotopic Mass:
475.182g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
79.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6  

Literature

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