Home Carboxys 3-Pyridinecarboxylic acid, 2-amino-6-[2-(cyclopropylmethoxy)-6-[(4-methoxyphenyl)methoxy]phenyl]-4-[1-[(1,1-dimethylethoxy)carbonyl]-3-piperidinyl]-, 1,1-dimethylethyl ester

3-Pyridinecarboxylic acid, 2-amino-6-[2-(cyclopropylmethoxy)-6-[(4-methoxyphenyl)methoxy]phenyl]-4-[1-[(1,1-dimethylethoxy)carbonyl]-3-piperidinyl]-, 1,1-dimethylethyl ester

CAS No.:
405239-75-0
Catalog Number:
AG00CNDM
Molecular Formula:
C38H49N3O7
Molecular Weight:
659.8116
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Product Description
Catalog Number:
AG00CNDM
Chemical Name:
3-Pyridinecarboxylic acid, 2-amino-6-[2-(cyclopropylmethoxy)-6-[(4-methoxyphenyl)methoxy]phenyl]-4-[1-[(1,1-dimethylethoxy)carbonyl]-3-piperidinyl]-, 1,1-dimethylethyl ester
CAS Number:
405239-75-0
Molecular Formula:
C38H49N3O7
Molecular Weight:
659.8116
IUPAC Name:
tert-butyl 2-amino-6-[2-(cyclopropylmethoxy)-6-[(4-methoxyphenyl)methoxy]phenyl]-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]pyridine-3-carboxylate
InChI:
InChI=1S/C38H49N3O7/c1-37(2,3)47-35(42)32-28(26-10-9-19-41(21-26)36(43)48-38(4,5)6)20-29(40-34(32)39)33-30(45-22-24-13-14-24)11-8-12-31(33)46-23-25-15-17-27(44-7)18-16-25/h8,11-12,15-18,20,24,26H,9-10,13-14,19,21-23H2,1-7H3,(H2,39,40)
InChI Key:
FMXYYOXRBFDEIB-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)COc1cccc(c1c1nc(N)c(c(c1)C1CCCN(C1)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)OCC1CC1
Properties
Complexity:
1050  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
659.357g/mol
Formal Charge:
0
Heavy Atom Count:
48  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
659.824g/mol
Monoisotopic Mass:
659.357g/mol
Rotatable Bond Count:
14  
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
7.1  
Properties