Home Other Building Blocks LYN-1604 hydrochloride

LYN-1604 hydrochloride

CAS No.:
2216753-86-3
Catalog Number:
AG01EB2G
Molecular Formula:
C33H44Cl3N3O2
Molecular Weight:
621.0804
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Product Description
Catalog Number:
AG01EB2G
Chemical Name:
LYN-1604 hydrochloride
CAS Number:
2216753-86-3
Molecular Formula:
C33H44Cl3N3O2
Molecular Weight:
621.0804
MDL Number:
MFCD31630830
IUPAC Name:
2-[bis(2-methylpropyl)amino]-1-[4-[2-(2,4-dichlorophenyl)-2-(naphthalen-2-ylmethoxy)ethyl]piperazin-1-yl]ethanone;hydrochloride
InChI:
InChI=1S/C33H43Cl2N3O2.ClH/c1-24(2)19-37(20-25(3)4)22-33(39)38-15-13-36(14-16-38)21-32(30-12-11-29(34)18-31(30)35)40-23-26-9-10-27-7-5-6-8-28(27)17-26;/h5-12,17-18,24-25,32H,13-16,19-23H2,1-4H3;1H
InChI Key:
KWFDUNOLEJSFBQ-UHFFFAOYSA-N
SMILES:
CC(CN(CC(=O)N1CCN(CC1)CC(c1ccc(cc1Cl)Cl)OCc1ccc2c(c1)cccc2)CC(C)C)C.Cl
Properties
Complexity:
750  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
619.25g/mol
Formal Charge:
0
Heavy Atom Count:
41  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
621.084g/mol
Monoisotopic Mass:
619.25g/mol
Rotatable Bond Count:
12  
Topological Polar Surface Area:
36A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties